USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 906 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 70:sc= 0.202 USER MOD Set 1.2: A 116 THR OG1 : rot 171:sc= 0.215 USER MOD Set 2.1: A 106 THR OG1 : rot -170:sc= 0 USER MOD Set 2.2: A 108 SER OG : rot -178:sc= 0.773 USER MOD Set 2.3: A 111 HIS : no HD1:sc= -3.31! C(o=-2.5!,f=-9.2!) USER MOD Set 3.1: A 20 GLN : amide:sc= 0.194 K(o=1.5,f=1) USER MOD Set 3.2: A 35 THR OG1 : rot -109:sc= 1.33 USER MOD Set 4.1: A 13 HIS : no HE2:sc= -2.4! K(o=-2.4!,f=-1) USER MOD Set 4.2: A 69 SER OG : rot 168:sc= 0 USER MOD Set 5.1: A 11 CYS SG : rot 7:sc= -0.969 USER MOD Set 5.2: A 92 SER OG : rot -97:sc= 1.01 USER MOD Single : A 1 GLY N :NH3+ -170:sc= 1.28 (180deg=1.2) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 158:sc= -0.124 (180deg=-0.603) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 1.01 (180deg=0.939) USER MOD Single : A 18 HIS : no HE2:sc= -1.75! C(o=-1.8!,f=-4.2!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 21 SER OG : rot 133:sc= 0.56 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 170:sc= 0.243 USER MOD Single : A 29 GLN : amide:sc= -1.39 K(o=-1.4,f=-6.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00245 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 46 TYR OH : rot -15:sc= -0.115 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0.973 (180deg=0.967) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= -0.0222 (180deg=-0.262) USER MOD Single : A 52 SER OG : rot 93:sc= 1.31 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -79:sc= 1.17 USER MOD Single : A 63 GLN : amide:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 65 SER OG : rot 30:sc= 1.14 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00376 USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= -0.0316 (180deg=-0.211) USER MOD Single : A 80 SER OG : rot 78:sc= 1.55 USER MOD Single : A 83 GLN : amide:sc= -0.0331 X(o=-0.033,f=0.41) USER MOD Single : A 84 MET CE :methyl -116:sc= -0.58 (180deg=-0.878) USER MOD Single : A 85 GLN : amide:sc= -0.0429 X(o=-0.043,f=-0.049) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -74:sc= 1.22 USER MOD Single : A 100 MET CE :methyl -175:sc= -2.09 (180deg=-2.14) USER MOD Single : A 101 SER OG : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.844 20.260 -5.736 1.00 13.00 N ATOM 2 CA GLY A 1 10.314 19.951 -7.106 1.00 45.03 C ATOM 3 C GLY A 1 9.838 20.974 -8.113 1.00 14.21 C ATOM 4 O GLY A 1 10.580 21.885 -8.480 1.00 25.44 O ATOM 0 H1 GLY A 1 10.326 19.639 -5.055 1.00 13.00 H new ATOM 0 H2 GLY A 1 10.058 21.253 -5.511 1.00 13.00 H new ATOM 0 H3 GLY A 1 8.817 20.106 -5.678 1.00 13.00 H new ATOM 0 HA2 GLY A 1 11.403 19.913 -7.115 1.00 45.03 H new ATOM 0 HA3 GLY A 1 9.958 18.963 -7.397 1.00 45.03 H new ATOM 10 N SER A 2 8.605 20.832 -8.566 1.00 21.41 N ATOM 11 CA SER A 2 8.036 21.765 -9.522 1.00 13.12 C ATOM 12 C SER A 2 7.578 23.033 -8.809 1.00 42.41 C ATOM 13 O SER A 2 7.372 23.027 -7.592 1.00 62.32 O ATOM 14 CB SER A 2 6.860 21.114 -10.250 1.00 64.15 C ATOM 15 OG SER A 2 7.256 19.897 -10.863 1.00 5.22 O ATOM 0 H SER A 2 7.978 20.078 -8.287 1.00 21.41 H new ATOM 0 HA SER A 2 8.799 22.032 -10.253 1.00 13.12 H new ATOM 0 HB2 SER A 2 6.051 20.924 -9.545 1.00 64.15 H new ATOM 0 HB3 SER A 2 6.471 21.797 -11.005 1.00 64.15 H new ATOM 0 HG SER A 2 6.488 19.497 -11.322 1.00 5.22 H new ATOM 21 N HIS A 3 7.433 24.121 -9.558 1.00 23.01 N ATOM 22 CA HIS A 3 6.963 25.379 -8.986 1.00 1.35 C ATOM 23 C HIS A 3 5.514 25.240 -8.574 1.00 25.01 C ATOM 24 O HIS A 3 5.099 25.739 -7.527 1.00 60.54 O ATOM 25 CB HIS A 3 7.135 26.533 -9.978 1.00 21.11 C ATOM 26 CG HIS A 3 8.564 26.900 -10.223 1.00 43.14 C ATOM 27 ND1 HIS A 3 9.226 26.621 -11.396 1.00 65.25 N ATOM 28 CD2 HIS A 3 9.462 27.527 -9.431 1.00 25.43 C ATOM 29 CE1 HIS A 3 10.467 27.057 -11.315 1.00 75.42 C ATOM 30 NE2 HIS A 3 10.634 27.611 -10.132 1.00 52.23 N ATOM 0 H HIS A 3 7.633 24.158 -10.558 1.00 23.01 H new ATOM 0 HA HIS A 3 7.564 25.609 -8.106 1.00 1.35 H new ATOM 0 HB2 HIS A 3 6.671 26.260 -10.925 1.00 21.11 H new ATOM 0 HB3 HIS A 3 6.603 27.407 -9.603 1.00 21.11 H new ATOM 0 HD2 HIS A 3 9.287 27.894 -8.430 1.00 25.43 H new ATOM 0 HE1 HIS A 3 11.218 26.974 -12.086 1.00 75.42 H new ATOM 0 HE2 HIS A 3 11.498 28.034 -9.793 1.00 52.23 H new ATOM 39 N MET A 4 4.756 24.550 -9.400 1.00 62.34 N ATOM 40 CA MET A 4 3.376 24.248 -9.110 1.00 10.15 C ATOM 41 C MET A 4 3.311 22.853 -8.508 1.00 10.22 C ATOM 42 O MET A 4 3.189 21.859 -9.227 1.00 43.21 O ATOM 43 CB MET A 4 2.535 24.314 -10.388 1.00 24.15 C ATOM 44 CG MET A 4 1.048 24.083 -10.170 1.00 61.34 C ATOM 45 SD MET A 4 0.121 24.056 -11.718 1.00 45.33 S ATOM 46 CE MET A 4 0.783 22.577 -12.492 1.00 41.31 C ATOM 0 H MET A 4 5.084 24.183 -10.294 1.00 62.34 H new ATOM 0 HA MET A 4 2.975 24.978 -8.407 1.00 10.15 H new ATOM 0 HB2 MET A 4 2.675 25.291 -10.851 1.00 24.15 H new ATOM 0 HB3 MET A 4 2.907 23.570 -11.093 1.00 24.15 H new ATOM 0 HG2 MET A 4 0.903 23.138 -9.646 1.00 61.34 H new ATOM 0 HG3 MET A 4 0.652 24.868 -9.526 1.00 61.34 H new ATOM 0 HE1 MET A 4 0.075 22.206 -13.233 1.00 41.31 H new ATOM 0 HE2 MET A 4 1.728 22.814 -12.980 1.00 41.31 H new ATOM 0 HE3 MET A 4 0.948 21.812 -11.733 1.00 41.31 H new ATOM 56 N GLU A 5 3.442 22.782 -7.204 1.00 21.23 N ATOM 57 CA GLU A 5 3.470 21.513 -6.517 1.00 51.41 C ATOM 58 C GLU A 5 2.427 21.479 -5.407 1.00 35.41 C ATOM 59 O GLU A 5 2.472 22.292 -4.481 1.00 63.35 O ATOM 60 CB GLU A 5 4.868 21.271 -5.942 1.00 54.32 C ATOM 61 CG GLU A 5 5.047 19.916 -5.286 1.00 11.42 C ATOM 62 CD GLU A 5 6.458 19.699 -4.798 1.00 70.22 C ATOM 63 OE1 GLU A 5 7.323 19.303 -5.616 1.00 24.44 O ATOM 64 OE2 GLU A 5 6.715 19.917 -3.600 1.00 72.53 O ATOM 0 H GLU A 5 3.531 23.595 -6.594 1.00 21.23 H new ATOM 0 HA GLU A 5 3.233 20.722 -7.228 1.00 51.41 H new ATOM 0 HB2 GLU A 5 5.600 21.373 -6.743 1.00 54.32 H new ATOM 0 HB3 GLU A 5 5.086 22.048 -5.209 1.00 54.32 H new ATOM 0 HG2 GLU A 5 4.357 19.827 -4.447 1.00 11.42 H new ATOM 0 HG3 GLU A 5 4.786 19.133 -5.998 1.00 11.42 H new ATOM 71 N PRO A 6 1.458 20.552 -5.503 1.00 10.15 N ATOM 72 CA PRO A 6 0.410 20.392 -4.491 1.00 20.25 C ATOM 73 C PRO A 6 0.991 20.071 -3.115 1.00 74.22 C ATOM 74 O PRO A 6 1.868 19.210 -2.980 1.00 25.32 O ATOM 75 CB PRO A 6 -0.414 19.202 -5.006 1.00 32.42 C ATOM 76 CG PRO A 6 -0.114 19.129 -6.461 1.00 12.33 C ATOM 77 CD PRO A 6 1.302 19.597 -6.614 1.00 21.15 C ATOM 0 HA PRO A 6 -0.172 21.304 -4.361 1.00 20.25 H new ATOM 0 HB2 PRO A 6 -0.134 18.279 -4.498 1.00 32.42 H new ATOM 0 HB3 PRO A 6 -1.479 19.353 -4.829 1.00 32.42 H new ATOM 0 HG2 PRO A 6 -0.231 18.111 -6.833 1.00 12.33 H new ATOM 0 HG3 PRO A 6 -0.797 19.758 -7.032 1.00 12.33 H new ATOM 0 HD2 PRO A 6 2.010 18.772 -6.539 1.00 21.15 H new ATOM 0 HD3 PRO A 6 1.468 20.072 -7.581 1.00 21.15 H new ATOM 85 N ALA A 7 0.503 20.769 -2.106 1.00 0.14 N ATOM 86 CA ALA A 7 0.960 20.563 -0.743 1.00 34.43 C ATOM 87 C ALA A 7 0.172 19.440 -0.089 1.00 34.51 C ATOM 88 O ALA A 7 0.641 18.795 0.854 1.00 1.35 O ATOM 89 CB ALA A 7 0.819 21.847 0.058 1.00 63.34 C ATOM 0 H ALA A 7 -0.214 21.488 -2.205 1.00 0.14 H new ATOM 0 HA ALA A 7 2.013 20.281 -0.764 1.00 34.43 H new ATOM 0 HB1 ALA A 7 1.165 21.679 1.078 1.00 63.34 H new ATOM 0 HB2 ALA A 7 1.418 22.632 -0.404 1.00 63.34 H new ATOM 0 HB3 ALA A 7 -0.227 22.152 0.075 1.00 63.34 H new ATOM 95 N ARG A 8 -1.028 19.218 -0.591 1.00 35.33 N ATOM 96 CA ARG A 8 -1.889 18.166 -0.095 1.00 23.24 C ATOM 97 C ARG A 8 -2.070 17.108 -1.160 1.00 43.00 C ATOM 98 O ARG A 8 -2.443 17.414 -2.295 1.00 11.04 O ATOM 99 CB ARG A 8 -3.249 18.731 0.309 1.00 72.02 C ATOM 100 CG ARG A 8 -3.185 19.787 1.393 1.00 32.25 C ATOM 101 CD ARG A 8 -4.561 20.340 1.699 1.00 65.32 C ATOM 102 NE ARG A 8 -4.519 21.400 2.706 1.00 0.20 N ATOM 103 CZ ARG A 8 -5.499 22.286 2.895 1.00 61.23 C ATOM 104 NH1 ARG A 8 -6.598 22.229 2.152 1.00 52.42 N ATOM 105 NH2 ARG A 8 -5.379 23.226 3.824 1.00 71.14 N ATOM 0 H ARG A 8 -1.431 19.762 -1.353 1.00 35.33 H new ATOM 0 HA ARG A 8 -1.423 17.720 0.784 1.00 23.24 H new ATOM 0 HB2 ARG A 8 -3.728 19.159 -0.572 1.00 72.02 H new ATOM 0 HB3 ARG A 8 -3.883 17.913 0.651 1.00 72.02 H new ATOM 0 HG2 ARG A 8 -2.753 19.358 2.297 1.00 32.25 H new ATOM 0 HG3 ARG A 8 -2.526 20.596 1.078 1.00 32.25 H new ATOM 0 HD2 ARG A 8 -5.006 20.729 0.783 1.00 65.32 H new ATOM 0 HD3 ARG A 8 -5.205 19.534 2.049 1.00 65.32 H new ATOM 0 HE ARG A 8 -3.692 21.466 3.299 1.00 0.20 H new ATOM 0 HH11 ARG A 8 -6.693 21.508 1.437 1.00 52.42 H new ATOM 0 HH12 ARG A 8 -7.347 22.906 2.296 1.00 52.42 H new ATOM 0 HH21 ARG A 8 -4.536 23.273 4.396 1.00 71.14 H new ATOM 0 HH22 ARG A 8 -6.130 23.902 3.966 1.00 71.14 H new ATOM 119 N VAL A 9 -1.807 15.875 -0.803 1.00 72.34 N ATOM 120 CA VAL A 9 -1.934 14.771 -1.728 1.00 23.31 C ATOM 121 C VAL A 9 -2.840 13.701 -1.156 1.00 30.12 C ATOM 122 O VAL A 9 -2.856 13.470 0.055 1.00 41.01 O ATOM 123 CB VAL A 9 -0.554 14.148 -2.075 1.00 53.35 C ATOM 124 CG1 VAL A 9 0.315 15.149 -2.822 1.00 20.30 C ATOM 125 CG2 VAL A 9 0.156 13.664 -0.815 1.00 4.13 C ATOM 0 H VAL A 9 -1.500 15.607 0.132 1.00 72.34 H new ATOM 0 HA VAL A 9 -2.370 15.168 -2.645 1.00 23.31 H new ATOM 0 HB VAL A 9 -0.726 13.288 -2.723 1.00 53.35 H new ATOM 0 HG11 VAL A 9 1.277 14.693 -3.055 1.00 20.30 H new ATOM 0 HG12 VAL A 9 -0.181 15.443 -3.747 1.00 20.30 H new ATOM 0 HG13 VAL A 9 0.473 16.030 -2.199 1.00 20.30 H new ATOM 0 HG21 VAL A 9 1.120 13.232 -1.084 1.00 4.13 H new ATOM 0 HG22 VAL A 9 0.311 14.505 -0.139 1.00 4.13 H new ATOM 0 HG23 VAL A 9 -0.455 12.909 -0.320 1.00 4.13 H new ATOM 135 N ARG A 10 -3.617 13.076 -2.008 1.00 13.24 N ATOM 136 CA ARG A 10 -4.477 12.001 -1.578 1.00 34.13 C ATOM 137 C ARG A 10 -4.000 10.706 -2.170 1.00 53.41 C ATOM 138 O ARG A 10 -3.887 10.583 -3.385 1.00 5.20 O ATOM 139 CB ARG A 10 -5.931 12.251 -1.971 1.00 15.31 C ATOM 140 CG ARG A 10 -6.876 11.183 -1.443 1.00 2.14 C ATOM 141 CD ARG A 10 -8.325 11.539 -1.684 1.00 24.31 C ATOM 142 NE ARG A 10 -9.221 10.663 -0.932 1.00 55.12 N ATOM 143 CZ ARG A 10 -10.512 10.912 -0.715 1.00 32.10 C ATOM 144 NH1 ARG A 10 -11.083 11.981 -1.247 1.00 41.31 N ATOM 145 NH2 ARG A 10 -11.225 10.089 0.036 1.00 33.01 N ATOM 0 H ARG A 10 -3.671 13.294 -3.003 1.00 13.24 H new ATOM 0 HA ARG A 10 -4.433 11.947 -0.490 1.00 34.13 H new ATOM 0 HB2 ARG A 10 -6.243 13.225 -1.593 1.00 15.31 H new ATOM 0 HB3 ARG A 10 -6.007 12.292 -3.058 1.00 15.31 H new ATOM 0 HG2 ARG A 10 -6.652 10.231 -1.924 1.00 2.14 H new ATOM 0 HG3 ARG A 10 -6.709 11.047 -0.374 1.00 2.14 H new ATOM 0 HD2 ARG A 10 -8.500 12.575 -1.395 1.00 24.31 H new ATOM 0 HD3 ARG A 10 -8.548 11.463 -2.748 1.00 24.31 H new ATOM 0 HE ARG A 10 -8.832 9.802 -0.547 1.00 55.12 H new ATOM 0 HH11 ARG A 10 -10.535 12.618 -1.825 1.00 41.31 H new ATOM 0 HH12 ARG A 10 -12.071 12.168 -1.079 1.00 41.31 H new ATOM 0 HH21 ARG A 10 -10.786 9.265 0.448 1.00 33.01 H new ATOM 0 HH22 ARG A 10 -12.213 10.278 0.203 1.00 33.01 H new ATOM 159 N CYS A 11 -3.715 9.750 -1.328 1.00 0.31 N ATOM 160 CA CYS A 11 -3.230 8.470 -1.783 1.00 52.31 C ATOM 161 C CYS A 11 -3.944 7.336 -1.078 1.00 11.52 C ATOM 162 O CYS A 11 -4.661 7.547 -0.093 1.00 41.22 O ATOM 163 CB CYS A 11 -1.723 8.355 -1.549 1.00 25.24 C ATOM 164 SG CYS A 11 -0.736 9.630 -2.361 1.00 52.53 S ATOM 0 H CYS A 11 -3.810 9.832 -0.316 1.00 0.31 H new ATOM 0 HA CYS A 11 -3.433 8.398 -2.851 1.00 52.31 H new ATOM 0 HB2 CYS A 11 -1.531 8.394 -0.477 1.00 25.24 H new ATOM 0 HB3 CYS A 11 -1.388 7.378 -1.898 1.00 25.24 H new ATOM 0 HG CYS A 11 -1.525 10.512 -2.899 1.00 52.53 H new ATOM 170 N SER A 12 -3.758 6.149 -1.597 1.00 53.12 N ATOM 171 CA SER A 12 -4.296 4.953 -1.009 1.00 51.35 C ATOM 172 C SER A 12 -3.141 3.996 -0.714 1.00 41.43 C ATOM 173 O SER A 12 -2.154 3.964 -1.459 1.00 11.30 O ATOM 174 CB SER A 12 -5.309 4.317 -1.961 1.00 33.11 C ATOM 175 OG SER A 12 -6.290 5.265 -2.360 1.00 31.10 O ATOM 0 H SER A 12 -3.222 5.986 -2.450 1.00 53.12 H new ATOM 0 HA SER A 12 -4.814 5.186 -0.079 1.00 51.35 H new ATOM 0 HB2 SER A 12 -4.795 3.927 -2.839 1.00 33.11 H new ATOM 0 HB3 SER A 12 -5.792 3.470 -1.473 1.00 33.11 H new ATOM 0 HG SER A 12 -5.880 5.932 -2.949 1.00 31.10 H new ATOM 181 N HIS A 13 -3.243 3.239 0.368 1.00 34.21 N ATOM 182 CA HIS A 13 -2.153 2.354 0.755 1.00 62.13 C ATOM 183 C HIS A 13 -2.603 0.911 0.890 1.00 62.55 C ATOM 184 O HIS A 13 -3.588 0.613 1.564 1.00 72.24 O ATOM 185 CB HIS A 13 -1.472 2.832 2.065 1.00 73.34 C ATOM 186 CG HIS A 13 -2.297 2.692 3.326 1.00 22.31 C ATOM 187 ND1 HIS A 13 -1.823 2.091 4.470 1.00 62.14 N ATOM 188 CD2 HIS A 13 -3.552 3.101 3.620 1.00 4.33 C ATOM 189 CE1 HIS A 13 -2.751 2.136 5.405 1.00 61.01 C ATOM 190 NE2 HIS A 13 -3.810 2.747 4.916 1.00 74.14 N ATOM 0 H HIS A 13 -4.055 3.218 0.985 1.00 34.21 H new ATOM 0 HA HIS A 13 -1.421 2.397 -0.051 1.00 62.13 H new ATOM 0 HB2 HIS A 13 -0.546 2.273 2.196 1.00 73.34 H new ATOM 0 HB3 HIS A 13 -1.197 3.880 1.948 1.00 73.34 H new ATOM 0 HD1 HIS A 13 -0.898 1.675 4.577 1.00 62.14 H new ATOM 0 HD2 HIS A 13 -4.228 3.614 2.952 1.00 4.33 H new ATOM 0 HE1 HIS A 13 -2.658 1.738 6.405 1.00 61.01 H new ATOM 199 N LEU A 14 -1.873 0.025 0.246 1.00 30.21 N ATOM 200 CA LEU A 14 -2.131 -1.393 0.351 1.00 74.22 C ATOM 201 C LEU A 14 -1.057 -2.013 1.212 1.00 63.55 C ATOM 202 O LEU A 14 0.128 -1.932 0.887 1.00 63.15 O ATOM 203 CB LEU A 14 -2.133 -2.061 -1.028 1.00 73.05 C ATOM 204 CG LEU A 14 -2.512 -3.546 -1.041 1.00 11.35 C ATOM 205 CD1 LEU A 14 -3.964 -3.727 -0.679 1.00 52.21 C ATOM 206 CD2 LEU A 14 -2.222 -4.168 -2.391 1.00 63.05 C ATOM 0 H LEU A 14 -1.089 0.266 -0.361 1.00 30.21 H new ATOM 0 HA LEU A 14 -3.115 -1.542 0.796 1.00 74.22 H new ATOM 0 HB2 LEU A 14 -2.826 -1.521 -1.673 1.00 73.05 H new ATOM 0 HB3 LEU A 14 -1.141 -1.953 -1.466 1.00 73.05 H new ATOM 0 HG LEU A 14 -1.903 -4.055 -0.294 1.00 11.35 H new ATOM 0 HD11 LEU A 14 -4.213 -4.788 -0.694 1.00 52.21 H new ATOM 0 HD12 LEU A 14 -4.143 -3.326 0.319 1.00 52.21 H new ATOM 0 HD13 LEU A 14 -4.587 -3.198 -1.400 1.00 52.21 H new ATOM 0 HD21 LEU A 14 -2.500 -5.222 -2.373 1.00 63.05 H new ATOM 0 HD22 LEU A 14 -2.798 -3.654 -3.160 1.00 63.05 H new ATOM 0 HD23 LEU A 14 -1.159 -4.077 -2.613 1.00 63.05 H new ATOM 218 N LEU A 15 -1.458 -2.598 2.312 1.00 12.54 N ATOM 219 CA LEU A 15 -0.516 -3.202 3.224 1.00 62.53 C ATOM 220 C LEU A 15 -0.738 -4.693 3.336 1.00 54.14 C ATOM 221 O LEU A 15 -1.826 -5.152 3.704 1.00 3.30 O ATOM 222 CB LEU A 15 -0.585 -2.527 4.603 1.00 52.30 C ATOM 223 CG LEU A 15 0.031 -3.305 5.785 1.00 52.04 C ATOM 224 CD1 LEU A 15 1.504 -3.604 5.546 1.00 40.15 C ATOM 225 CD2 LEU A 15 -0.148 -2.529 7.080 1.00 63.02 C ATOM 0 H LEU A 15 -2.434 -2.670 2.600 1.00 12.54 H new ATOM 0 HA LEU A 15 0.485 -3.049 2.821 1.00 62.53 H new ATOM 0 HB2 LEU A 15 -0.086 -1.560 4.534 1.00 52.30 H new ATOM 0 HB3 LEU A 15 -1.632 -2.330 4.834 1.00 52.30 H new ATOM 0 HG LEU A 15 -0.494 -4.257 5.868 1.00 52.04 H new ATOM 0 HD11 LEU A 15 1.907 -4.153 6.397 1.00 40.15 H new ATOM 0 HD12 LEU A 15 1.611 -4.205 4.643 1.00 40.15 H new ATOM 0 HD13 LEU A 15 2.050 -2.668 5.426 1.00 40.15 H new ATOM 0 HD21 LEU A 15 0.292 -3.091 7.904 1.00 63.02 H new ATOM 0 HD22 LEU A 15 0.347 -1.561 6.996 1.00 63.02 H new ATOM 0 HD23 LEU A 15 -1.211 -2.378 7.270 1.00 63.02 H new ATOM 237 N VAL A 16 0.287 -5.434 2.987 1.00 14.13 N ATOM 238 CA VAL A 16 0.285 -6.869 3.111 1.00 30.50 C ATOM 239 C VAL A 16 1.395 -7.267 4.070 1.00 74.14 C ATOM 240 O VAL A 16 2.587 -7.179 3.734 1.00 31.30 O ATOM 241 CB VAL A 16 0.503 -7.561 1.738 1.00 33.41 C ATOM 242 CG1 VAL A 16 0.484 -9.076 1.882 1.00 71.53 C ATOM 243 CG2 VAL A 16 -0.552 -7.109 0.737 1.00 31.31 C ATOM 0 H VAL A 16 1.153 -5.052 2.606 1.00 14.13 H new ATOM 0 HA VAL A 16 -0.686 -7.190 3.489 1.00 30.50 H new ATOM 0 HB VAL A 16 1.484 -7.267 1.365 1.00 33.41 H new ATOM 0 HG11 VAL A 16 0.639 -9.536 0.906 1.00 71.53 H new ATOM 0 HG12 VAL A 16 1.279 -9.387 2.560 1.00 71.53 H new ATOM 0 HG13 VAL A 16 -0.479 -9.391 2.283 1.00 71.53 H new ATOM 0 HG21 VAL A 16 -0.383 -7.605 -0.219 1.00 31.31 H new ATOM 0 HG22 VAL A 16 -1.543 -7.369 1.110 1.00 31.31 H new ATOM 0 HG23 VAL A 16 -0.487 -6.029 0.602 1.00 31.31 H new ATOM 253 N LYS A 17 1.021 -7.657 5.275 1.00 41.03 N ATOM 254 CA LYS A 17 2.003 -8.015 6.277 1.00 73.20 C ATOM 255 C LYS A 17 2.593 -9.389 6.022 1.00 31.41 C ATOM 256 O LYS A 17 2.105 -10.155 5.188 1.00 61.25 O ATOM 257 CB LYS A 17 1.433 -7.925 7.701 1.00 21.04 C ATOM 258 CG LYS A 17 1.235 -6.497 8.197 1.00 21.30 C ATOM 259 CD LYS A 17 1.006 -6.445 9.707 1.00 44.25 C ATOM 260 CE LYS A 17 -0.319 -7.077 10.115 1.00 63.21 C ATOM 261 NZ LYS A 17 -1.480 -6.324 9.578 1.00 62.32 N ATOM 0 H LYS A 17 0.051 -7.733 5.580 1.00 41.03 H new ATOM 0 HA LYS A 17 2.807 -7.284 6.196 1.00 73.20 H new ATOM 0 HB2 LYS A 17 0.476 -8.446 7.733 1.00 21.04 H new ATOM 0 HB3 LYS A 17 2.103 -8.447 8.384 1.00 21.04 H new ATOM 0 HG2 LYS A 17 2.110 -5.899 7.942 1.00 21.30 H new ATOM 0 HG3 LYS A 17 0.383 -6.050 7.685 1.00 21.30 H new ATOM 0 HD2 LYS A 17 1.822 -6.960 10.214 1.00 44.25 H new ATOM 0 HD3 LYS A 17 1.028 -5.407 10.040 1.00 44.25 H new ATOM 0 HE2 LYS A 17 -0.356 -8.106 9.756 1.00 63.21 H new ATOM 0 HE3 LYS A 17 -0.383 -7.116 11.202 1.00 63.21 H new ATOM 0 HZ1 LYS A 17 -2.362 -6.766 9.906 1.00 62.32 H new ATOM 0 HZ2 LYS A 17 -1.441 -5.340 9.913 1.00 62.32 H new ATOM 0 HZ3 LYS A 17 -1.452 -6.337 8.538 1.00 62.32 H new ATOM 275 N HIS A 18 3.645 -9.687 6.747 1.00 34.21 N ATOM 276 CA HIS A 18 4.347 -10.943 6.616 1.00 34.51 C ATOM 277 C HIS A 18 4.736 -11.458 7.983 1.00 63.42 C ATOM 278 O HIS A 18 4.867 -10.676 8.924 1.00 24.31 O ATOM 279 CB HIS A 18 5.595 -10.793 5.720 1.00 43.21 C ATOM 280 CG HIS A 18 6.415 -9.553 5.990 1.00 42.44 C ATOM 281 ND1 HIS A 18 6.869 -9.196 7.244 1.00 25.01 N ATOM 282 CD2 HIS A 18 6.840 -8.579 5.151 1.00 1.41 C ATOM 283 CE1 HIS A 18 7.532 -8.057 7.160 1.00 0.11 C ATOM 284 NE2 HIS A 18 7.528 -7.666 5.904 1.00 64.41 N ATOM 0 H HIS A 18 4.041 -9.062 7.449 1.00 34.21 H new ATOM 0 HA HIS A 18 3.681 -11.662 6.140 1.00 34.51 H new ATOM 0 HB2 HIS A 18 6.230 -11.669 5.853 1.00 43.21 H new ATOM 0 HB3 HIS A 18 5.279 -10.784 4.677 1.00 43.21 H new ATOM 0 HD1 HIS A 18 6.716 -9.728 8.101 1.00 25.01 H new ATOM 0 HD2 HIS A 18 6.668 -8.531 4.086 1.00 1.41 H new ATOM 0 HE1 HIS A 18 7.998 -7.535 7.983 1.00 0.11 H new ATOM 293 N SER A 19 4.930 -12.759 8.077 1.00 4.44 N ATOM 294 CA SER A 19 5.287 -13.428 9.326 1.00 43.25 C ATOM 295 C SER A 19 6.490 -12.767 10.010 1.00 14.41 C ATOM 296 O SER A 19 6.524 -12.637 11.232 1.00 60.11 O ATOM 297 CB SER A 19 5.591 -14.886 9.027 1.00 72.21 C ATOM 298 OG SER A 19 6.427 -14.992 7.883 1.00 41.50 O ATOM 0 H SER A 19 4.845 -13.394 7.283 1.00 4.44 H new ATOM 0 HA SER A 19 4.446 -13.347 10.014 1.00 43.25 H new ATOM 0 HB2 SER A 19 6.079 -15.346 9.886 1.00 72.21 H new ATOM 0 HB3 SER A 19 4.662 -15.431 8.859 1.00 72.21 H new ATOM 0 HG SER A 19 6.616 -15.936 7.703 1.00 41.50 H new ATOM 304 N GLN A 20 7.453 -12.332 9.206 1.00 45.31 N ATOM 305 CA GLN A 20 8.670 -11.685 9.706 1.00 73.41 C ATOM 306 C GLN A 20 8.418 -10.243 10.198 1.00 2.40 C ATOM 307 O GLN A 20 9.306 -9.394 10.131 1.00 10.32 O ATOM 308 CB GLN A 20 9.741 -11.695 8.614 1.00 71.51 C ATOM 309 CG GLN A 20 10.343 -13.068 8.353 1.00 53.40 C ATOM 310 CD GLN A 20 11.315 -13.066 7.192 1.00 31.40 C ATOM 311 OE1 GLN A 20 12.499 -12.784 7.358 1.00 22.30 O ATOM 312 NE2 GLN A 20 10.835 -13.419 6.017 1.00 0.21 N ATOM 0 H GLN A 20 7.417 -12.415 8.190 1.00 45.31 H new ATOM 0 HA GLN A 20 9.014 -12.255 10.569 1.00 73.41 H new ATOM 0 HB2 GLN A 20 9.306 -11.318 7.688 1.00 71.51 H new ATOM 0 HB3 GLN A 20 10.538 -11.007 8.895 1.00 71.51 H new ATOM 0 HG2 GLN A 20 10.856 -13.412 9.251 1.00 53.40 H new ATOM 0 HG3 GLN A 20 9.542 -13.779 8.151 1.00 53.40 H new ATOM 0 HE21 GLN A 20 9.846 -13.646 5.918 1.00 0.21 H new ATOM 0 HE22 GLN A 20 11.453 -13.465 5.207 1.00 0.21 H new ATOM 321 N SER A 21 7.217 -9.982 10.687 1.00 53.21 N ATOM 322 CA SER A 21 6.867 -8.682 11.237 1.00 4.24 C ATOM 323 C SER A 21 6.625 -8.827 12.742 1.00 71.13 C ATOM 324 O SER A 21 6.722 -9.929 13.284 1.00 75.32 O ATOM 325 CB SER A 21 5.613 -8.130 10.538 1.00 74.13 C ATOM 326 OG SER A 21 5.346 -6.789 10.921 1.00 50.32 O ATOM 0 H SER A 21 6.458 -10.663 10.714 1.00 53.21 H new ATOM 0 HA SER A 21 7.684 -7.980 11.070 1.00 4.24 H new ATOM 0 HB2 SER A 21 5.747 -8.180 9.457 1.00 74.13 H new ATOM 0 HB3 SER A 21 4.755 -8.756 10.782 1.00 74.13 H new ATOM 0 HG SER A 21 5.157 -6.252 10.123 1.00 50.32 H new ATOM 332 N ARG A 22 6.305 -7.731 13.413 1.00 71.13 N ATOM 333 CA ARG A 22 6.062 -7.775 14.854 1.00 3.52 C ATOM 334 C ARG A 22 4.640 -8.207 15.135 1.00 62.33 C ATOM 335 O ARG A 22 4.355 -8.809 16.168 1.00 22.13 O ATOM 336 CB ARG A 22 6.318 -6.421 15.525 1.00 33.45 C ATOM 337 CG ARG A 22 7.734 -5.888 15.381 1.00 55.11 C ATOM 338 CD ARG A 22 7.953 -5.257 14.022 1.00 71.34 C ATOM 339 NE ARG A 22 6.979 -4.196 13.755 1.00 34.12 N ATOM 340 CZ ARG A 22 7.208 -3.162 12.951 1.00 40.54 C ATOM 341 NH1 ARG A 22 8.361 -3.056 12.318 1.00 65.43 N ATOM 342 NH2 ARG A 22 6.276 -2.238 12.771 1.00 1.41 N ATOM 0 H ARG A 22 6.207 -6.807 12.992 1.00 71.13 H new ATOM 0 HA ARG A 22 6.762 -8.499 15.271 1.00 3.52 H new ATOM 0 HB2 ARG A 22 5.627 -5.689 15.107 1.00 33.45 H new ATOM 0 HB3 ARG A 22 6.086 -6.509 16.586 1.00 33.45 H new ATOM 0 HG2 ARG A 22 7.928 -5.152 16.161 1.00 55.11 H new ATOM 0 HG3 ARG A 22 8.446 -6.700 15.525 1.00 55.11 H new ATOM 0 HD2 ARG A 22 8.962 -4.847 13.969 1.00 71.34 H new ATOM 0 HD3 ARG A 22 7.879 -6.022 13.249 1.00 71.34 H new ATOM 0 HE ARG A 22 6.070 -4.254 14.214 1.00 34.12 H new ATOM 0 HH11 ARG A 22 9.080 -3.769 12.445 1.00 65.43 H new ATOM 0 HH12 ARG A 22 8.533 -2.262 11.702 1.00 65.43 H new ATOM 0 HH21 ARG A 22 5.379 -2.318 13.250 1.00 1.41 H new ATOM 0 HH22 ARG A 22 6.455 -1.446 12.153 1.00 1.41 H new ATOM 356 N ARG A 23 3.748 -7.894 14.219 1.00 11.21 N ATOM 357 CA ARG A 23 2.359 -8.246 14.382 1.00 44.43 C ATOM 358 C ARG A 23 1.961 -9.315 13.377 1.00 42.14 C ATOM 359 O ARG A 23 1.748 -9.025 12.199 1.00 14.20 O ATOM 360 CB ARG A 23 1.469 -7.016 14.225 1.00 12.31 C ATOM 361 CG ARG A 23 0.027 -7.244 14.658 1.00 62.24 C ATOM 362 CD ARG A 23 -0.063 -7.518 16.152 1.00 24.15 C ATOM 363 NE ARG A 23 0.405 -6.380 16.948 1.00 13.33 N ATOM 364 CZ ARG A 23 0.518 -6.390 18.278 1.00 31.11 C ATOM 365 NH1 ARG A 23 0.248 -7.494 18.964 1.00 74.21 N ATOM 366 NH2 ARG A 23 0.918 -5.298 18.917 1.00 53.42 N ATOM 0 H ARG A 23 3.963 -7.396 13.355 1.00 11.21 H new ATOM 0 HA ARG A 23 2.223 -8.644 15.388 1.00 44.43 H new ATOM 0 HB2 ARG A 23 1.889 -6.197 14.809 1.00 12.31 H new ATOM 0 HB3 ARG A 23 1.480 -6.701 13.181 1.00 12.31 H new ATOM 0 HG2 ARG A 23 -0.573 -6.368 14.410 1.00 62.24 H new ATOM 0 HG3 ARG A 23 -0.393 -8.085 14.106 1.00 62.24 H new ATOM 0 HD2 ARG A 23 -1.095 -7.746 16.417 1.00 24.15 H new ATOM 0 HD3 ARG A 23 0.531 -8.399 16.395 1.00 24.15 H new ATOM 0 HE ARG A 23 0.661 -5.525 16.454 1.00 13.33 H new ATOM 0 HH11 ARG A 23 -0.047 -8.339 18.475 1.00 74.21 H new ATOM 0 HH12 ARG A 23 0.336 -7.497 19.980 1.00 74.21 H new ATOM 0 HH21 ARG A 23 1.139 -4.452 18.392 1.00 53.42 H new ATOM 0 HH22 ARG A 23 1.005 -5.305 19.933 1.00 53.42 H new ATOM 380 N PRO A 24 1.871 -10.567 13.827 1.00 62.14 N ATOM 381 CA PRO A 24 1.497 -11.684 12.983 1.00 34.34 C ATOM 382 C PRO A 24 -0.009 -11.937 13.015 1.00 1.41 C ATOM 383 O PRO A 24 -0.456 -13.073 12.917 1.00 41.15 O ATOM 384 CB PRO A 24 2.244 -12.841 13.639 1.00 13.41 C ATOM 385 CG PRO A 24 2.231 -12.514 15.100 1.00 74.13 C ATOM 386 CD PRO A 24 2.144 -11.005 15.210 1.00 22.14 C ATOM 0 HA PRO A 24 1.739 -11.528 11.932 1.00 34.34 H new ATOM 0 HB2 PRO A 24 1.753 -13.794 13.441 1.00 13.41 H new ATOM 0 HB3 PRO A 24 3.262 -12.922 13.259 1.00 13.41 H new ATOM 0 HG2 PRO A 24 1.383 -12.987 15.595 1.00 74.13 H new ATOM 0 HG3 PRO A 24 3.132 -12.886 15.587 1.00 74.13 H new ATOM 0 HD2 PRO A 24 1.350 -10.699 15.891 1.00 22.14 H new ATOM 0 HD3 PRO A 24 3.072 -10.577 15.589 1.00 22.14 H new ATOM 394 N SER A 25 -0.780 -10.874 13.134 1.00 23.02 N ATOM 395 CA SER A 25 -2.221 -10.986 13.199 1.00 74.43 C ATOM 396 C SER A 25 -2.895 -9.750 12.605 1.00 61.31 C ATOM 397 O SER A 25 -2.280 -8.675 12.501 1.00 32.13 O ATOM 398 CB SER A 25 -2.655 -11.190 14.652 1.00 61.34 C ATOM 399 OG SER A 25 -2.025 -10.244 15.506 1.00 31.01 O ATOM 0 H SER A 25 -0.428 -9.918 13.188 1.00 23.02 H new ATOM 0 HA SER A 25 -2.531 -11.848 12.608 1.00 74.43 H new ATOM 0 HB2 SER A 25 -3.738 -11.092 14.730 1.00 61.34 H new ATOM 0 HB3 SER A 25 -2.403 -12.201 14.973 1.00 61.34 H new ATOM 0 HG SER A 25 -2.318 -10.391 16.430 1.00 31.01 H new ATOM 405 N SER A 26 -4.138 -9.909 12.200 1.00 43.43 N ATOM 406 CA SER A 26 -4.913 -8.825 11.639 1.00 24.51 C ATOM 407 C SER A 26 -6.384 -9.014 11.985 1.00 12.23 C ATOM 408 O SER A 26 -6.724 -9.767 12.903 1.00 72.41 O ATOM 409 CB SER A 26 -4.734 -8.790 10.119 1.00 33.14 C ATOM 410 OG SER A 26 -5.306 -9.941 9.513 1.00 32.42 O ATOM 0 H SER A 26 -4.639 -10.796 12.251 1.00 43.43 H new ATOM 0 HA SER A 26 -4.566 -7.881 12.058 1.00 24.51 H new ATOM 0 HB2 SER A 26 -5.201 -7.892 9.715 1.00 33.14 H new ATOM 0 HB3 SER A 26 -3.673 -8.735 9.875 1.00 33.14 H new ATOM 0 HG SER A 26 -5.325 -9.823 8.540 1.00 32.42 H new ATOM 415 N TRP A 27 -7.252 -8.341 11.252 1.00 63.33 N ATOM 416 CA TRP A 27 -8.683 -8.452 11.462 1.00 14.34 C ATOM 417 C TRP A 27 -9.264 -9.579 10.613 1.00 21.41 C ATOM 418 O TRP A 27 -10.447 -9.903 10.716 1.00 72.13 O ATOM 419 CB TRP A 27 -9.379 -7.128 11.119 1.00 53.24 C ATOM 420 CG TRP A 27 -9.133 -6.666 9.709 1.00 55.44 C ATOM 421 CD1 TRP A 27 -8.135 -5.845 9.282 1.00 70.25 C ATOM 422 CD2 TRP A 27 -9.902 -7.000 8.542 1.00 33.31 C ATOM 423 NE1 TRP A 27 -8.232 -5.649 7.930 1.00 24.53 N ATOM 424 CE2 TRP A 27 -9.306 -6.346 7.452 1.00 63.12 C ATOM 425 CE3 TRP A 27 -11.035 -7.788 8.316 1.00 71.21 C ATOM 426 CZ2 TRP A 27 -9.799 -6.455 6.155 1.00 12.02 C ATOM 427 CZ3 TRP A 27 -11.523 -7.895 7.029 1.00 1.02 C ATOM 428 CH2 TRP A 27 -10.905 -7.232 5.964 1.00 10.25 C ATOM 0 H TRP A 27 -6.987 -7.706 10.499 1.00 63.33 H new ATOM 0 HA TRP A 27 -8.856 -8.680 12.514 1.00 14.34 H new ATOM 0 HB2 TRP A 27 -10.452 -7.241 11.274 1.00 53.24 H new ATOM 0 HB3 TRP A 27 -9.037 -6.358 11.810 1.00 53.24 H new ATOM 0 HD1 TRP A 27 -7.377 -5.411 9.917 1.00 70.25 H new ATOM 0 HE1 TRP A 27 -7.603 -5.074 7.369 1.00 24.53 H new ATOM 0 HE3 TRP A 27 -11.519 -8.303 9.133 1.00 71.21 H new ATOM 0 HZ2 TRP A 27 -9.324 -5.944 5.330 1.00 12.02 H new ATOM 0 HZ3 TRP A 27 -12.397 -8.501 6.841 1.00 1.02 H new ATOM 0 HH2 TRP A 27 -11.312 -7.337 4.969 1.00 10.25 H new ATOM 439 N ARG A 28 -8.428 -10.169 9.770 1.00 21.42 N ATOM 440 CA ARG A 28 -8.888 -11.219 8.879 1.00 22.45 C ATOM 441 C ARG A 28 -7.982 -12.441 8.933 1.00 33.14 C ATOM 442 O ARG A 28 -8.215 -13.424 8.233 1.00 45.10 O ATOM 443 CB ARG A 28 -8.985 -10.697 7.449 1.00 34.34 C ATOM 444 CG ARG A 28 -7.675 -10.178 6.885 1.00 63.33 C ATOM 445 CD ARG A 28 -7.828 -9.788 5.428 1.00 15.21 C ATOM 446 NE ARG A 28 -8.348 -10.899 4.629 1.00 23.33 N ATOM 447 CZ ARG A 28 -7.770 -11.380 3.534 1.00 53.22 C ATOM 448 NH1 ARG A 28 -6.644 -10.840 3.076 1.00 54.33 N ATOM 449 NH2 ARG A 28 -8.317 -12.401 2.897 1.00 24.42 N ATOM 0 H ARG A 28 -7.438 -9.940 9.686 1.00 21.42 H new ATOM 0 HA ARG A 28 -9.878 -11.526 9.216 1.00 22.45 H new ATOM 0 HB2 ARG A 28 -9.352 -11.497 6.806 1.00 34.34 H new ATOM 0 HB3 ARG A 28 -9.724 -9.897 7.416 1.00 34.34 H new ATOM 0 HG2 ARG A 28 -7.342 -9.316 7.463 1.00 63.33 H new ATOM 0 HG3 ARG A 28 -6.905 -10.943 6.982 1.00 63.33 H new ATOM 0 HD2 ARG A 28 -8.500 -8.934 5.347 1.00 15.21 H new ATOM 0 HD3 ARG A 28 -6.863 -9.473 5.031 1.00 15.21 H new ATOM 0 HE ARG A 28 -9.217 -11.336 4.935 1.00 23.33 H new ATOM 0 HH11 ARG A 28 -6.220 -10.052 3.566 1.00 54.33 H new ATOM 0 HH12 ARG A 28 -6.205 -11.214 2.235 1.00 54.33 H new ATOM 0 HH21 ARG A 28 -9.180 -12.817 3.247 1.00 24.42 H new ATOM 0 HH22 ARG A 28 -7.876 -12.773 2.056 1.00 24.42 H new ATOM 463 N GLN A 29 -6.955 -12.375 9.748 1.00 23.54 N ATOM 464 CA GLN A 29 -6.032 -13.479 9.906 1.00 2.23 C ATOM 465 C GLN A 29 -5.489 -13.494 11.327 1.00 34.30 C ATOM 466 O GLN A 29 -5.017 -12.474 11.829 1.00 14.12 O ATOM 467 CB GLN A 29 -4.886 -13.362 8.890 1.00 33.44 C ATOM 468 CG GLN A 29 -3.927 -14.550 8.867 1.00 30.23 C ATOM 469 CD GLN A 29 -4.572 -15.844 8.385 1.00 70.43 C ATOM 470 OE1 GLN A 29 -5.767 -16.077 8.578 1.00 63.30 O ATOM 471 NE2 GLN A 29 -3.780 -16.695 7.764 1.00 24.51 N ATOM 0 H GLN A 29 -6.735 -11.559 10.319 1.00 23.54 H new ATOM 0 HA GLN A 29 -6.558 -14.416 9.721 1.00 2.23 H new ATOM 0 HB2 GLN A 29 -5.313 -13.238 7.895 1.00 33.44 H new ATOM 0 HB3 GLN A 29 -4.317 -12.458 9.108 1.00 33.44 H new ATOM 0 HG2 GLN A 29 -3.082 -14.312 8.221 1.00 30.23 H new ATOM 0 HG3 GLN A 29 -3.528 -14.704 9.870 1.00 30.23 H new ATOM 0 HE21 GLN A 29 -2.796 -16.466 7.623 1.00 24.51 H new ATOM 0 HE22 GLN A 29 -4.151 -17.582 7.424 1.00 24.51 H new ATOM 480 N GLU A 30 -5.569 -14.639 11.975 1.00 75.14 N ATOM 481 CA GLU A 30 -5.108 -14.763 13.346 1.00 33.14 C ATOM 482 C GLU A 30 -3.607 -14.962 13.400 1.00 11.44 C ATOM 483 O GLU A 30 -2.953 -14.545 14.359 1.00 42.45 O ATOM 484 CB GLU A 30 -5.825 -15.908 14.059 1.00 45.44 C ATOM 485 CG GLU A 30 -7.330 -15.722 14.148 1.00 72.02 C ATOM 486 CD GLU A 30 -7.712 -14.459 14.886 1.00 44.05 C ATOM 487 OE1 GLU A 30 -7.764 -13.389 14.254 1.00 31.23 O ATOM 488 OE2 GLU A 30 -7.966 -14.528 16.102 1.00 72.34 O ATOM 0 H GLU A 30 -5.949 -15.497 11.576 1.00 75.14 H new ATOM 0 HA GLU A 30 -5.346 -13.833 13.863 1.00 33.14 H new ATOM 0 HB2 GLU A 30 -5.613 -16.840 13.536 1.00 45.44 H new ATOM 0 HB3 GLU A 30 -5.420 -16.008 15.066 1.00 45.44 H new ATOM 0 HG2 GLU A 30 -7.750 -15.693 13.143 1.00 72.02 H new ATOM 0 HG3 GLU A 30 -7.770 -16.582 14.653 1.00 72.02 H new ATOM 495 N LYS A 31 -3.062 -15.608 12.383 1.00 30.14 N ATOM 496 CA LYS A 31 -1.632 -15.827 12.314 1.00 41.02 C ATOM 497 C LYS A 31 -1.107 -15.658 10.891 1.00 14.24 C ATOM 498 O LYS A 31 -1.344 -16.494 10.015 1.00 73.55 O ATOM 499 CB LYS A 31 -1.245 -17.209 12.876 1.00 42.10 C ATOM 500 CG LYS A 31 -1.938 -18.393 12.208 1.00 40.12 C ATOM 501 CD LYS A 31 -1.424 -19.721 12.750 1.00 42.21 C ATOM 502 CE LYS A 31 0.063 -19.909 12.467 1.00 61.54 C ATOM 503 NZ LYS A 31 0.580 -21.179 13.029 1.00 31.41 N ATOM 0 H LYS A 31 -3.589 -15.988 11.597 1.00 30.14 H new ATOM 0 HA LYS A 31 -1.162 -15.066 12.937 1.00 41.02 H new ATOM 0 HB2 LYS A 31 -0.167 -17.336 12.778 1.00 42.10 H new ATOM 0 HB3 LYS A 31 -1.473 -17.228 13.942 1.00 42.10 H new ATOM 0 HG2 LYS A 31 -3.014 -18.325 12.370 1.00 40.12 H new ATOM 0 HG3 LYS A 31 -1.775 -18.351 11.131 1.00 40.12 H new ATOM 0 HD2 LYS A 31 -1.598 -19.767 13.825 1.00 42.21 H new ATOM 0 HD3 LYS A 31 -1.986 -20.539 12.300 1.00 42.21 H new ATOM 0 HE2 LYS A 31 0.232 -19.894 11.390 1.00 61.54 H new ATOM 0 HE3 LYS A 31 0.621 -19.073 12.889 1.00 61.54 H new ATOM 0 HZ1 LYS A 31 1.594 -21.267 12.814 1.00 31.41 H new ATOM 0 HZ2 LYS A 31 0.443 -21.184 14.060 1.00 31.41 H new ATOM 0 HZ3 LYS A 31 0.066 -21.979 12.608 1.00 31.41 H new ATOM 517 N ILE A 32 -0.410 -14.559 10.664 1.00 42.11 N ATOM 518 CA ILE A 32 0.200 -14.299 9.377 1.00 61.53 C ATOM 519 C ILE A 32 1.320 -15.303 9.153 1.00 43.25 C ATOM 520 O ILE A 32 2.401 -15.189 9.735 1.00 54.01 O ATOM 521 CB ILE A 32 0.773 -12.857 9.284 1.00 31.41 C ATOM 522 CG1 ILE A 32 -0.317 -11.807 9.575 1.00 63.05 C ATOM 523 CG2 ILE A 32 1.382 -12.615 7.910 1.00 3.25 C ATOM 524 CD1 ILE A 32 -1.442 -11.779 8.560 1.00 24.33 C ATOM 0 H ILE A 32 -0.253 -13.830 11.360 1.00 42.11 H new ATOM 0 HA ILE A 32 -0.569 -14.398 8.611 1.00 61.53 H new ATOM 0 HB ILE A 32 1.553 -12.756 10.039 1.00 31.41 H new ATOM 0 HG12 ILE A 32 -0.738 -12.001 10.561 1.00 63.05 H new ATOM 0 HG13 ILE A 32 0.146 -10.821 9.614 1.00 63.05 H new ATOM 0 HG21 ILE A 32 1.779 -11.601 7.861 1.00 3.25 H new ATOM 0 HG22 ILE A 32 2.188 -13.329 7.738 1.00 3.25 H new ATOM 0 HG23 ILE A 32 0.616 -12.742 7.145 1.00 3.25 H new ATOM 0 HD11 ILE A 32 -2.165 -11.013 8.840 1.00 24.33 H new ATOM 0 HD12 ILE A 32 -1.037 -11.553 7.574 1.00 24.33 H new ATOM 0 HD13 ILE A 32 -1.934 -12.751 8.536 1.00 24.33 H new ATOM 536 N THR A 33 1.044 -16.299 8.346 1.00 1.31 N ATOM 537 CA THR A 33 1.994 -17.354 8.083 1.00 30.44 C ATOM 538 C THR A 33 2.744 -17.092 6.775 1.00 13.12 C ATOM 539 O THR A 33 3.746 -17.748 6.471 1.00 70.24 O ATOM 540 CB THR A 33 1.269 -18.712 8.011 1.00 12.40 C ATOM 541 OG1 THR A 33 0.308 -18.791 9.083 1.00 0.34 O ATOM 542 CG2 THR A 33 2.255 -19.866 8.141 1.00 42.44 C ATOM 0 H THR A 33 0.157 -16.401 7.854 1.00 1.31 H new ATOM 0 HA THR A 33 2.717 -17.377 8.898 1.00 30.44 H new ATOM 0 HB THR A 33 0.771 -18.788 7.044 1.00 12.40 H new ATOM 0 HG1 THR A 33 -0.158 -19.652 9.042 1.00 0.34 H new ATOM 0 HG21 THR A 33 1.717 -20.812 8.087 1.00 42.44 H new ATOM 0 HG22 THR A 33 2.983 -19.816 7.331 1.00 42.44 H new ATOM 0 HG23 THR A 33 2.772 -19.797 9.098 1.00 42.44 H new ATOM 550 N ARG A 34 2.259 -16.126 6.011 1.00 74.10 N ATOM 551 CA ARG A 34 2.876 -15.785 4.744 1.00 11.10 C ATOM 552 C ARG A 34 4.177 -15.012 4.978 1.00 63.41 C ATOM 553 O ARG A 34 4.212 -14.047 5.749 1.00 20.13 O ATOM 554 CB ARG A 34 1.908 -14.959 3.866 1.00 44.22 C ATOM 555 CG ARG A 34 1.697 -13.528 4.349 1.00 21.52 C ATOM 556 CD ARG A 34 0.759 -12.751 3.444 1.00 41.42 C ATOM 557 NE ARG A 34 -0.635 -12.809 3.896 1.00 64.54 N ATOM 558 CZ ARG A 34 -1.296 -11.757 4.400 1.00 62.43 C ATOM 559 NH1 ARG A 34 -0.654 -10.614 4.621 1.00 30.55 N ATOM 560 NH2 ARG A 34 -2.584 -11.858 4.712 1.00 61.34 N ATOM 0 H ARG A 34 1.440 -15.566 6.248 1.00 74.10 H new ATOM 0 HA ARG A 34 3.108 -16.710 4.216 1.00 11.10 H new ATOM 0 HB2 ARG A 34 2.291 -14.934 2.846 1.00 44.22 H new ATOM 0 HB3 ARG A 34 0.943 -15.466 3.832 1.00 44.22 H new ATOM 0 HG2 ARG A 34 1.293 -13.544 5.361 1.00 21.52 H new ATOM 0 HG3 ARG A 34 2.659 -13.017 4.398 1.00 21.52 H new ATOM 0 HD2 ARG A 34 1.080 -11.710 3.401 1.00 41.42 H new ATOM 0 HD3 ARG A 34 0.826 -13.148 2.431 1.00 41.42 H new ATOM 0 HE ARG A 34 -1.129 -13.699 3.823 1.00 64.54 H new ATOM 0 HH11 ARG A 34 0.340 -10.538 4.407 1.00 30.55 H new ATOM 0 HH12 ARG A 34 -1.156 -9.813 5.004 1.00 30.55 H new ATOM 0 HH21 ARG A 34 -3.076 -12.740 4.568 1.00 61.34 H new ATOM 0 HH22 ARG A 34 -3.081 -11.054 5.095 1.00 61.34 H new ATOM 574 N THR A 35 5.240 -15.450 4.345 1.00 62.04 N ATOM 575 CA THR A 35 6.508 -14.768 4.470 1.00 23.30 C ATOM 576 C THR A 35 6.607 -13.645 3.425 1.00 30.42 C ATOM 577 O THR A 35 5.667 -13.425 2.654 1.00 54.10 O ATOM 578 CB THR A 35 7.708 -15.749 4.346 1.00 43.04 C ATOM 579 OG1 THR A 35 8.946 -15.051 4.554 1.00 55.42 O ATOM 580 CG2 THR A 35 7.726 -16.425 2.985 1.00 62.34 C ATOM 0 H THR A 35 5.253 -16.272 3.741 1.00 62.04 H new ATOM 0 HA THR A 35 6.557 -14.329 5.467 1.00 23.30 H new ATOM 0 HB THR A 35 7.592 -16.516 5.112 1.00 43.04 H new ATOM 0 HG1 THR A 35 9.431 -14.985 3.705 1.00 55.42 H new ATOM 0 HG21 THR A 35 8.576 -17.105 2.928 1.00 62.34 H new ATOM 0 HG22 THR A 35 6.802 -16.986 2.845 1.00 62.34 H new ATOM 0 HG23 THR A 35 7.813 -15.669 2.204 1.00 62.34 H new ATOM 588 N LYS A 36 7.734 -12.946 3.402 1.00 41.05 N ATOM 589 CA LYS A 36 7.920 -11.824 2.495 1.00 40.22 C ATOM 590 C LYS A 36 7.864 -12.270 1.039 1.00 61.32 C ATOM 591 O LYS A 36 7.220 -11.628 0.218 1.00 34.23 O ATOM 592 CB LYS A 36 9.244 -11.113 2.773 1.00 43.12 C ATOM 593 CG LYS A 36 9.472 -9.889 1.893 1.00 1.24 C ATOM 594 CD LYS A 36 10.817 -9.238 2.162 1.00 1.15 C ATOM 595 CE LYS A 36 11.970 -10.175 1.848 1.00 1.53 C ATOM 596 NZ LYS A 36 13.280 -9.504 1.996 1.00 13.22 N ATOM 0 H LYS A 36 8.535 -13.138 4.004 1.00 41.05 H new ATOM 0 HA LYS A 36 7.102 -11.126 2.670 1.00 40.22 H new ATOM 0 HB2 LYS A 36 9.272 -10.809 3.819 1.00 43.12 H new ATOM 0 HB3 LYS A 36 10.063 -11.816 2.624 1.00 43.12 H new ATOM 0 HG2 LYS A 36 9.414 -10.180 0.844 1.00 1.24 H new ATOM 0 HG3 LYS A 36 8.677 -9.164 2.067 1.00 1.24 H new ATOM 0 HD2 LYS A 36 10.910 -8.333 1.561 1.00 1.15 H new ATOM 0 HD3 LYS A 36 10.871 -8.933 3.207 1.00 1.15 H new ATOM 0 HE2 LYS A 36 11.927 -11.039 2.511 1.00 1.53 H new ATOM 0 HE3 LYS A 36 11.867 -10.550 0.830 1.00 1.53 H new ATOM 0 HZ1 LYS A 36 14.042 -10.176 1.773 1.00 13.22 H new ATOM 0 HZ2 LYS A 36 13.331 -8.695 1.345 1.00 13.22 H new ATOM 0 HZ3 LYS A 36 13.390 -9.169 2.974 1.00 13.22 H new ATOM 610 N GLU A 37 8.536 -13.373 0.733 1.00 33.53 N ATOM 611 CA GLU A 37 8.569 -13.902 -0.630 1.00 52.32 C ATOM 612 C GLU A 37 7.157 -14.168 -1.135 1.00 43.53 C ATOM 613 O GLU A 37 6.817 -13.823 -2.266 1.00 24.00 O ATOM 614 CB GLU A 37 9.393 -15.198 -0.705 1.00 50.42 C ATOM 615 CG GLU A 37 10.748 -15.138 -0.009 1.00 72.12 C ATOM 616 CD GLU A 37 10.657 -15.469 1.467 1.00 63.10 C ATOM 617 OE1 GLU A 37 10.364 -14.559 2.271 1.00 14.30 O ATOM 618 OE2 GLU A 37 10.861 -16.644 1.827 1.00 44.34 O ATOM 0 H GLU A 37 9.067 -13.921 1.410 1.00 33.53 H new ATOM 0 HA GLU A 37 9.043 -13.151 -1.262 1.00 52.32 H new ATOM 0 HB2 GLU A 37 8.811 -16.008 -0.265 1.00 50.42 H new ATOM 0 HB3 GLU A 37 9.550 -15.451 -1.753 1.00 50.42 H new ATOM 0 HG2 GLU A 37 11.433 -15.835 -0.493 1.00 72.12 H new ATOM 0 HG3 GLU A 37 11.171 -14.141 -0.129 1.00 72.12 H new ATOM 625 N GLU A 38 6.339 -14.770 -0.278 1.00 34.31 N ATOM 626 CA GLU A 38 4.960 -15.094 -0.616 1.00 44.13 C ATOM 627 C GLU A 38 4.137 -13.826 -0.795 1.00 55.34 C ATOM 628 O GLU A 38 3.360 -13.708 -1.741 1.00 54.13 O ATOM 629 CB GLU A 38 4.345 -15.966 0.475 1.00 31.55 C ATOM 630 CG GLU A 38 5.096 -17.262 0.707 1.00 35.30 C ATOM 631 CD GLU A 38 4.523 -18.071 1.847 1.00 35.21 C ATOM 632 OE1 GLU A 38 4.890 -17.815 3.010 1.00 1.21 O ATOM 633 OE2 GLU A 38 3.705 -18.972 1.584 1.00 2.34 O ATOM 0 H GLU A 38 6.612 -15.045 0.665 1.00 34.31 H new ATOM 0 HA GLU A 38 4.956 -15.643 -1.557 1.00 44.13 H new ATOM 0 HB2 GLU A 38 4.314 -15.401 1.407 1.00 31.55 H new ATOM 0 HB3 GLU A 38 3.314 -16.196 0.207 1.00 31.55 H new ATOM 0 HG2 GLU A 38 5.073 -17.859 -0.205 1.00 35.30 H new ATOM 0 HG3 GLU A 38 6.142 -17.039 0.915 1.00 35.30 H new ATOM 640 N ALA A 39 4.323 -12.878 0.115 1.00 41.21 N ATOM 641 CA ALA A 39 3.612 -11.614 0.054 1.00 72.23 C ATOM 642 C ALA A 39 3.993 -10.845 -1.206 1.00 63.15 C ATOM 643 O ALA A 39 3.140 -10.268 -1.871 1.00 73.21 O ATOM 644 CB ALA A 39 3.898 -10.782 1.296 1.00 74.12 C ATOM 0 H ALA A 39 4.963 -12.964 0.905 1.00 41.21 H new ATOM 0 HA ALA A 39 2.543 -11.822 0.018 1.00 72.23 H new ATOM 0 HB1 ALA A 39 3.357 -9.838 1.234 1.00 74.12 H new ATOM 0 HB2 ALA A 39 3.574 -11.328 2.182 1.00 74.12 H new ATOM 0 HB3 ALA A 39 4.968 -10.584 1.363 1.00 74.12 H new ATOM 650 N LEU A 40 5.282 -10.869 -1.534 1.00 24.20 N ATOM 651 CA LEU A 40 5.802 -10.187 -2.715 1.00 74.10 C ATOM 652 C LEU A 40 5.133 -10.737 -3.975 1.00 71.03 C ATOM 653 O LEU A 40 4.753 -9.978 -4.870 1.00 3.42 O ATOM 654 CB LEU A 40 7.338 -10.358 -2.783 1.00 61.32 C ATOM 655 CG LEU A 40 8.120 -9.394 -3.706 1.00 63.41 C ATOM 656 CD1 LEU A 40 7.885 -9.701 -5.176 1.00 75.21 C ATOM 657 CD2 LEU A 40 7.761 -7.951 -3.397 1.00 22.13 C ATOM 0 H LEU A 40 5.993 -11.360 -0.991 1.00 24.20 H new ATOM 0 HA LEU A 40 5.576 -9.123 -2.648 1.00 74.10 H new ATOM 0 HB2 LEU A 40 7.734 -10.253 -1.773 1.00 61.32 H new ATOM 0 HB3 LEU A 40 7.550 -11.378 -3.104 1.00 61.32 H new ATOM 0 HG LEU A 40 9.182 -9.542 -3.508 1.00 63.41 H new ATOM 0 HD11 LEU A 40 8.452 -9.001 -5.789 1.00 75.21 H new ATOM 0 HD12 LEU A 40 8.210 -10.719 -5.392 1.00 75.21 H new ATOM 0 HD13 LEU A 40 6.823 -9.604 -5.403 1.00 75.21 H new ATOM 0 HD21 LEU A 40 8.321 -7.288 -4.056 1.00 22.13 H new ATOM 0 HD22 LEU A 40 6.693 -7.800 -3.553 1.00 22.13 H new ATOM 0 HD23 LEU A 40 8.011 -7.728 -2.360 1.00 22.13 H new ATOM 669 N GLU A 41 4.976 -12.056 -4.025 1.00 35.34 N ATOM 670 CA GLU A 41 4.329 -12.709 -5.155 1.00 10.13 C ATOM 671 C GLU A 41 2.916 -12.176 -5.340 1.00 51.42 C ATOM 672 O GLU A 41 2.473 -11.927 -6.465 1.00 4.51 O ATOM 673 CB GLU A 41 4.291 -14.220 -4.950 1.00 73.13 C ATOM 674 CG GLU A 41 5.659 -14.873 -4.942 1.00 61.13 C ATOM 675 CD GLU A 41 6.405 -14.660 -6.236 1.00 15.32 C ATOM 676 OE1 GLU A 41 6.006 -15.259 -7.256 1.00 3.32 O ATOM 677 OE2 GLU A 41 7.398 -13.900 -6.243 1.00 35.30 O ATOM 0 H GLU A 41 5.289 -12.694 -3.293 1.00 35.34 H new ATOM 0 HA GLU A 41 4.909 -12.491 -6.052 1.00 10.13 H new ATOM 0 HB2 GLU A 41 3.790 -14.436 -4.006 1.00 73.13 H new ATOM 0 HB3 GLU A 41 3.689 -14.669 -5.740 1.00 73.13 H new ATOM 0 HG2 GLU A 41 6.246 -14.470 -4.117 1.00 61.13 H new ATOM 0 HG3 GLU A 41 5.547 -15.942 -4.762 1.00 61.13 H new ATOM 684 N LEU A 42 2.218 -11.993 -4.230 1.00 22.24 N ATOM 685 CA LEU A 42 0.865 -11.466 -4.255 1.00 4.12 C ATOM 686 C LEU A 42 0.878 -10.016 -4.724 1.00 40.55 C ATOM 687 O LEU A 42 0.025 -9.602 -5.508 1.00 14.41 O ATOM 688 CB LEU A 42 0.229 -11.569 -2.866 1.00 13.42 C ATOM 689 CG LEU A 42 0.163 -12.977 -2.266 1.00 52.12 C ATOM 690 CD1 LEU A 42 -0.419 -12.934 -0.864 1.00 12.20 C ATOM 691 CD2 LEU A 42 -0.657 -13.903 -3.155 1.00 21.33 C ATOM 0 H LEU A 42 2.570 -12.203 -3.296 1.00 22.24 H new ATOM 0 HA LEU A 42 0.271 -12.056 -4.953 1.00 4.12 H new ATOM 0 HB2 LEU A 42 0.788 -10.929 -2.183 1.00 13.42 H new ATOM 0 HB3 LEU A 42 -0.784 -11.170 -2.920 1.00 13.42 H new ATOM 0 HG LEU A 42 1.178 -13.369 -2.206 1.00 52.12 H new ATOM 0 HD11 LEU A 42 -0.458 -13.944 -0.455 1.00 12.20 H new ATOM 0 HD12 LEU A 42 0.208 -12.309 -0.229 1.00 12.20 H new ATOM 0 HD13 LEU A 42 -1.426 -12.519 -0.901 1.00 12.20 H new ATOM 0 HD21 LEU A 42 -0.691 -14.898 -2.711 1.00 21.33 H new ATOM 0 HD22 LEU A 42 -1.670 -13.513 -3.250 1.00 21.33 H new ATOM 0 HD23 LEU A 42 -0.197 -13.962 -4.141 1.00 21.33 H new ATOM 703 N ILE A 43 1.868 -9.263 -4.245 1.00 61.11 N ATOM 704 CA ILE A 43 2.037 -7.854 -4.607 1.00 23.12 C ATOM 705 C ILE A 43 2.077 -7.678 -6.122 1.00 1.33 C ATOM 706 O ILE A 43 1.359 -6.839 -6.676 1.00 2.20 O ATOM 707 CB ILE A 43 3.332 -7.267 -3.978 1.00 5.15 C ATOM 708 CG1 ILE A 43 3.235 -7.258 -2.447 1.00 55.33 C ATOM 709 CG2 ILE A 43 3.623 -5.866 -4.507 1.00 4.10 C ATOM 710 CD1 ILE A 43 2.084 -6.436 -1.899 1.00 25.04 C ATOM 0 H ILE A 43 2.574 -9.611 -3.597 1.00 61.11 H new ATOM 0 HA ILE A 43 1.178 -7.312 -4.213 1.00 23.12 H new ATOM 0 HB ILE A 43 4.162 -7.911 -4.268 1.00 5.15 H new ATOM 0 HG12 ILE A 43 3.133 -8.285 -2.095 1.00 55.33 H new ATOM 0 HG13 ILE A 43 4.169 -6.872 -2.038 1.00 55.33 H new ATOM 0 HG21 ILE A 43 4.535 -5.485 -4.047 1.00 4.10 H new ATOM 0 HG22 ILE A 43 3.751 -5.905 -5.589 1.00 4.10 H new ATOM 0 HG23 ILE A 43 2.791 -5.205 -4.264 1.00 4.10 H new ATOM 0 HD11 ILE A 43 2.089 -6.484 -0.810 1.00 25.04 H new ATOM 0 HD12 ILE A 43 2.193 -5.399 -2.217 1.00 25.04 H new ATOM 0 HD13 ILE A 43 1.141 -6.833 -2.275 1.00 25.04 H new ATOM 722 N ASN A 44 2.908 -8.483 -6.788 1.00 15.41 N ATOM 723 CA ASN A 44 3.022 -8.440 -8.250 1.00 11.05 C ATOM 724 C ASN A 44 1.660 -8.634 -8.887 1.00 71.13 C ATOM 725 O ASN A 44 1.261 -7.884 -9.782 1.00 21.04 O ATOM 726 CB ASN A 44 3.973 -9.527 -8.762 1.00 50.03 C ATOM 727 CG ASN A 44 5.398 -9.352 -8.287 1.00 42.13 C ATOM 728 OD1 ASN A 44 5.864 -8.236 -8.060 1.00 73.33 O ATOM 729 ND2 ASN A 44 6.103 -10.457 -8.146 1.00 21.12 N ATOM 0 H ASN A 44 3.512 -9.172 -6.340 1.00 15.41 H new ATOM 0 HA ASN A 44 3.422 -7.464 -8.523 1.00 11.05 H new ATOM 0 HB2 ASN A 44 3.607 -10.501 -8.438 1.00 50.03 H new ATOM 0 HB3 ASN A 44 3.959 -9.528 -9.852 1.00 50.03 H new ATOM 0 HD21 ASN A 44 7.074 -10.407 -7.838 1.00 21.12 H new ATOM 0 HD22 ASN A 44 5.677 -11.362 -8.345 1.00 21.12 H new ATOM 736 N GLY A 45 0.941 -9.639 -8.401 1.00 51.23 N ATOM 737 CA GLY A 45 -0.373 -9.934 -8.915 1.00 45.44 C ATOM 738 C GLY A 45 -1.308 -8.752 -8.808 1.00 34.13 C ATOM 739 O GLY A 45 -1.974 -8.400 -9.775 1.00 15.22 O ATOM 0 H GLY A 45 1.253 -10.258 -7.652 1.00 51.23 H new ATOM 0 HA2 GLY A 45 -0.293 -10.238 -9.959 1.00 45.44 H new ATOM 0 HA3 GLY A 45 -0.794 -10.778 -8.369 1.00 45.44 H new ATOM 743 N TYR A 46 -1.333 -8.122 -7.638 1.00 62.21 N ATOM 744 CA TYR A 46 -2.204 -6.973 -7.406 1.00 3.13 C ATOM 745 C TYR A 46 -1.882 -5.841 -8.374 1.00 53.40 C ATOM 746 O TYR A 46 -2.768 -5.345 -9.066 1.00 14.03 O ATOM 747 CB TYR A 46 -2.095 -6.478 -5.955 1.00 74.10 C ATOM 748 CG TYR A 46 -2.440 -7.531 -4.924 1.00 3.23 C ATOM 749 CD1 TYR A 46 -3.543 -8.358 -5.091 1.00 40.02 C ATOM 750 CD2 TYR A 46 -1.657 -7.702 -3.788 1.00 11.11 C ATOM 751 CE1 TYR A 46 -3.853 -9.326 -4.160 1.00 1.40 C ATOM 752 CE2 TYR A 46 -1.965 -8.670 -2.851 1.00 34.43 C ATOM 753 CZ TYR A 46 -3.062 -9.480 -3.045 1.00 22.30 C ATOM 754 OH TYR A 46 -3.367 -10.455 -2.122 1.00 45.23 O ATOM 0 H TYR A 46 -0.761 -8.387 -6.836 1.00 62.21 H new ATOM 0 HA TYR A 46 -3.230 -7.298 -7.581 1.00 3.13 H new ATOM 0 HB2 TYR A 46 -1.079 -6.126 -5.776 1.00 74.10 H new ATOM 0 HB3 TYR A 46 -2.756 -5.622 -5.822 1.00 74.10 H new ATOM 0 HD1 TYR A 46 -4.168 -8.241 -5.964 1.00 40.02 H new ATOM 0 HD2 TYR A 46 -0.795 -7.069 -3.636 1.00 11.11 H new ATOM 0 HE1 TYR A 46 -4.714 -9.961 -4.305 1.00 1.40 H new ATOM 0 HE2 TYR A 46 -1.349 -8.791 -1.972 1.00 34.43 H new ATOM 0 HH TYR A 46 -4.280 -10.776 -2.275 1.00 45.23 H new ATOM 764 N ILE A 47 -0.607 -5.458 -8.437 1.00 22.03 N ATOM 765 CA ILE A 47 -0.167 -4.381 -9.324 1.00 3.41 C ATOM 766 C ILE A 47 -0.556 -4.680 -10.771 1.00 75.32 C ATOM 767 O ILE A 47 -1.095 -3.817 -11.479 1.00 54.34 O ATOM 768 CB ILE A 47 1.370 -4.169 -9.246 1.00 21.32 C ATOM 769 CG1 ILE A 47 1.789 -3.814 -7.816 1.00 74.12 C ATOM 770 CG2 ILE A 47 1.813 -3.076 -10.218 1.00 50.13 C ATOM 771 CD1 ILE A 47 3.286 -3.652 -7.639 1.00 31.01 C ATOM 0 H ILE A 47 0.140 -5.878 -7.884 1.00 22.03 H new ATOM 0 HA ILE A 47 -0.664 -3.470 -8.991 1.00 3.41 H new ATOM 0 HB ILE A 47 1.860 -5.100 -9.530 1.00 21.32 H new ATOM 0 HG12 ILE A 47 1.296 -2.888 -7.522 1.00 74.12 H new ATOM 0 HG13 ILE A 47 1.435 -4.592 -7.140 1.00 74.12 H new ATOM 0 HG21 ILE A 47 2.893 -2.943 -10.148 1.00 50.13 H new ATOM 0 HG22 ILE A 47 1.548 -3.364 -11.235 1.00 50.13 H new ATOM 0 HG23 ILE A 47 1.315 -2.140 -9.965 1.00 50.13 H new ATOM 0 HD11 ILE A 47 3.505 -3.401 -6.601 1.00 31.01 H new ATOM 0 HD12 ILE A 47 3.786 -4.585 -7.900 1.00 31.01 H new ATOM 0 HD13 ILE A 47 3.645 -2.854 -8.288 1.00 31.01 H new ATOM 783 N GLN A 48 -0.303 -5.906 -11.195 1.00 63.12 N ATOM 784 CA GLN A 48 -0.607 -6.315 -12.554 1.00 43.12 C ATOM 785 C GLN A 48 -2.112 -6.329 -12.829 1.00 31.22 C ATOM 786 O GLN A 48 -2.545 -5.874 -13.881 1.00 70.23 O ATOM 787 CB GLN A 48 0.025 -7.672 -12.878 1.00 25.43 C ATOM 788 CG GLN A 48 1.414 -7.574 -13.517 1.00 73.50 C ATOM 789 CD GLN A 48 2.438 -6.851 -12.652 1.00 75.41 C ATOM 790 OE1 GLN A 48 3.143 -7.471 -11.854 1.00 62.51 O ATOM 791 NE2 GLN A 48 2.544 -5.544 -12.818 1.00 63.33 N ATOM 0 H GLN A 48 0.113 -6.636 -10.616 1.00 63.12 H new ATOM 0 HA GLN A 48 -0.167 -5.569 -13.217 1.00 43.12 H new ATOM 0 HB2 GLN A 48 0.098 -8.256 -11.960 1.00 25.43 H new ATOM 0 HB3 GLN A 48 -0.636 -8.218 -13.551 1.00 25.43 H new ATOM 0 HG2 GLN A 48 1.777 -8.579 -13.731 1.00 73.50 H new ATOM 0 HG3 GLN A 48 1.329 -7.056 -14.472 1.00 73.50 H new ATOM 0 HE21 GLN A 48 1.943 -5.065 -13.488 1.00 63.33 H new ATOM 0 HE22 GLN A 48 3.227 -5.015 -12.276 1.00 63.33 H new ATOM 800 N LYS A 49 -2.909 -6.824 -11.884 1.00 1.12 N ATOM 801 CA LYS A 49 -4.363 -6.880 -12.071 1.00 64.15 C ATOM 802 C LYS A 49 -4.963 -5.486 -12.201 1.00 22.42 C ATOM 803 O LYS A 49 -5.885 -5.269 -12.995 1.00 50.11 O ATOM 804 CB LYS A 49 -5.050 -7.643 -10.932 1.00 25.31 C ATOM 805 CG LYS A 49 -4.729 -9.130 -10.899 1.00 23.34 C ATOM 806 CD LYS A 49 -5.569 -9.866 -9.864 1.00 62.53 C ATOM 807 CE LYS A 49 -7.045 -9.902 -10.253 1.00 24.24 C ATOM 808 NZ LYS A 49 -7.276 -10.667 -11.507 1.00 20.41 N ATOM 0 H LYS A 49 -2.581 -7.189 -10.990 1.00 1.12 H new ATOM 0 HA LYS A 49 -4.540 -7.420 -13.001 1.00 64.15 H new ATOM 0 HB2 LYS A 49 -4.756 -7.198 -9.982 1.00 25.31 H new ATOM 0 HB3 LYS A 49 -6.129 -7.517 -11.023 1.00 25.31 H new ATOM 0 HG2 LYS A 49 -4.905 -9.562 -11.884 1.00 23.34 H new ATOM 0 HG3 LYS A 49 -3.671 -9.269 -10.674 1.00 23.34 H new ATOM 0 HD2 LYS A 49 -5.198 -10.885 -9.752 1.00 62.53 H new ATOM 0 HD3 LYS A 49 -5.460 -9.379 -8.895 1.00 62.53 H new ATOM 0 HE2 LYS A 49 -7.621 -10.351 -9.444 1.00 24.24 H new ATOM 0 HE3 LYS A 49 -7.411 -8.883 -10.378 1.00 24.24 H new ATOM 0 HZ1 LYS A 49 -8.295 -10.694 -11.715 1.00 20.41 H new ATOM 0 HZ2 LYS A 49 -6.775 -10.205 -12.293 1.00 20.41 H new ATOM 0 HZ3 LYS A 49 -6.920 -11.638 -11.392 1.00 20.41 H new ATOM 822 N ILE A 50 -4.438 -4.545 -11.431 1.00 55.14 N ATOM 823 CA ILE A 50 -4.923 -3.170 -11.472 1.00 1.01 C ATOM 824 C ILE A 50 -4.615 -2.529 -12.822 1.00 30.41 C ATOM 825 O ILE A 50 -5.493 -1.942 -13.458 1.00 55.43 O ATOM 826 CB ILE A 50 -4.297 -2.315 -10.344 1.00 53.23 C ATOM 827 CG1 ILE A 50 -4.614 -2.928 -8.981 1.00 23.32 C ATOM 828 CG2 ILE A 50 -4.813 -0.879 -10.415 1.00 15.32 C ATOM 829 CD1 ILE A 50 -3.872 -2.281 -7.834 1.00 43.34 C ATOM 0 H ILE A 50 -3.677 -4.706 -10.771 1.00 55.14 H new ATOM 0 HA ILE A 50 -6.003 -3.204 -11.325 1.00 1.01 H new ATOM 0 HB ILE A 50 -3.215 -2.299 -10.477 1.00 53.23 H new ATOM 0 HG12 ILE A 50 -5.686 -2.850 -8.798 1.00 23.32 H new ATOM 0 HG13 ILE A 50 -4.371 -3.990 -9.005 1.00 23.32 H new ATOM 0 HG21 ILE A 50 -4.363 -0.291 -9.615 1.00 15.32 H new ATOM 0 HG22 ILE A 50 -4.547 -0.444 -11.379 1.00 15.32 H new ATOM 0 HG23 ILE A 50 -5.897 -0.876 -10.302 1.00 15.32 H new ATOM 0 HD11 ILE A 50 -4.149 -2.770 -6.900 1.00 43.34 H new ATOM 0 HD12 ILE A 50 -2.798 -2.382 -7.992 1.00 43.34 H new ATOM 0 HD13 ILE A 50 -4.133 -1.224 -7.782 1.00 43.34 H new ATOM 841 N LYS A 51 -3.375 -2.671 -13.272 1.00 13.13 N ATOM 842 CA LYS A 51 -2.956 -2.093 -14.545 1.00 33.11 C ATOM 843 C LYS A 51 -3.594 -2.809 -15.734 1.00 63.50 C ATOM 844 O LYS A 51 -3.641 -2.267 -16.841 1.00 1.13 O ATOM 845 CB LYS A 51 -1.434 -2.088 -14.671 1.00 35.30 C ATOM 846 CG LYS A 51 -0.752 -1.060 -13.782 1.00 11.35 C ATOM 847 CD LYS A 51 0.752 -1.043 -13.998 1.00 42.00 C ATOM 848 CE LYS A 51 1.418 0.073 -13.203 1.00 43.14 C ATOM 849 NZ LYS A 51 0.971 1.424 -13.646 1.00 1.21 N ATOM 0 H LYS A 51 -2.643 -3.180 -12.777 1.00 13.13 H new ATOM 0 HA LYS A 51 -3.306 -1.061 -14.559 1.00 33.11 H new ATOM 0 HB2 LYS A 51 -1.054 -3.079 -14.423 1.00 35.30 H new ATOM 0 HB3 LYS A 51 -1.165 -1.894 -15.709 1.00 35.30 H new ATOM 0 HG2 LYS A 51 -1.161 -0.071 -13.989 1.00 11.35 H new ATOM 0 HG3 LYS A 51 -0.967 -1.282 -12.737 1.00 11.35 H new ATOM 0 HD2 LYS A 51 1.174 -2.004 -13.702 1.00 42.00 H new ATOM 0 HD3 LYS A 51 0.967 -0.914 -15.059 1.00 42.00 H new ATOM 0 HE2 LYS A 51 1.193 -0.053 -12.144 1.00 43.14 H new ATOM 0 HE3 LYS A 51 2.500 -0.003 -13.310 1.00 43.14 H new ATOM 0 HZ1 LYS A 51 1.629 2.143 -13.284 1.00 1.21 H new ATOM 0 HZ2 LYS A 51 0.956 1.461 -14.685 1.00 1.21 H new ATOM 0 HZ3 LYS A 51 0.016 1.612 -13.279 1.00 1.21 H new ATOM 863 N SER A 52 -4.088 -4.015 -15.507 1.00 52.22 N ATOM 864 CA SER A 52 -4.748 -4.778 -16.556 1.00 52.14 C ATOM 865 C SER A 52 -6.255 -4.500 -16.563 1.00 41.31 C ATOM 866 O SER A 52 -6.999 -5.072 -17.357 1.00 34.44 O ATOM 867 CB SER A 52 -4.478 -6.273 -16.382 1.00 71.23 C ATOM 868 OG SER A 52 -3.080 -6.529 -16.344 1.00 54.11 O ATOM 0 H SER A 52 -4.045 -4.488 -14.604 1.00 52.22 H new ATOM 0 HA SER A 52 -4.339 -4.463 -17.516 1.00 52.14 H new ATOM 0 HB2 SER A 52 -4.943 -6.627 -15.462 1.00 71.23 H new ATOM 0 HB3 SER A 52 -4.932 -6.828 -17.203 1.00 71.23 H new ATOM 0 HG SER A 52 -2.771 -6.521 -15.414 1.00 54.11 H new ATOM 874 N GLY A 53 -6.691 -3.625 -15.660 1.00 13.02 N ATOM 875 CA GLY A 53 -8.090 -3.244 -15.598 1.00 52.54 C ATOM 876 C GLY A 53 -8.993 -4.353 -15.099 1.00 75.12 C ATOM 877 O GLY A 53 -10.163 -4.432 -15.487 1.00 31.31 O ATOM 0 H GLY A 53 -6.096 -3.171 -14.967 1.00 13.02 H new ATOM 0 HA2 GLY A 53 -8.195 -2.378 -14.944 1.00 52.54 H new ATOM 0 HA3 GLY A 53 -8.419 -2.936 -16.590 1.00 52.54 H new ATOM 881 N GLU A 54 -8.468 -5.215 -14.247 1.00 53.51 N ATOM 882 CA GLU A 54 -9.260 -6.309 -13.710 1.00 13.34 C ATOM 883 C GLU A 54 -9.915 -5.904 -12.401 1.00 51.51 C ATOM 884 O GLU A 54 -11.126 -6.032 -12.235 1.00 72.10 O ATOM 885 CB GLU A 54 -8.406 -7.550 -13.505 1.00 54.50 C ATOM 886 CG GLU A 54 -7.760 -8.069 -14.773 1.00 51.51 C ATOM 887 CD GLU A 54 -7.099 -9.403 -14.563 1.00 2.10 C ATOM 888 OE1 GLU A 54 -6.247 -9.509 -13.664 1.00 72.32 O ATOM 889 OE2 GLU A 54 -7.434 -10.358 -15.289 1.00 31.32 O ATOM 0 H GLU A 54 -7.505 -5.181 -13.914 1.00 53.51 H new ATOM 0 HA GLU A 54 -10.040 -6.544 -14.434 1.00 13.34 H new ATOM 0 HB2 GLU A 54 -7.626 -7.326 -12.777 1.00 54.50 H new ATOM 0 HB3 GLU A 54 -9.025 -8.338 -13.076 1.00 54.50 H new ATOM 0 HG2 GLU A 54 -8.515 -8.157 -15.554 1.00 51.51 H new ATOM 0 HG3 GLU A 54 -7.021 -7.349 -15.124 1.00 51.51 H new ATOM 896 N GLU A 55 -9.109 -5.420 -11.474 1.00 70.55 N ATOM 897 CA GLU A 55 -9.610 -4.969 -10.190 1.00 44.13 C ATOM 898 C GLU A 55 -8.943 -3.671 -9.800 1.00 74.21 C ATOM 899 O GLU A 55 -7.787 -3.431 -10.148 1.00 1.33 O ATOM 900 CB GLU A 55 -9.389 -6.026 -9.100 1.00 14.22 C ATOM 901 CG GLU A 55 -10.172 -7.309 -9.316 1.00 63.22 C ATOM 902 CD GLU A 55 -10.144 -8.223 -8.115 1.00 2.33 C ATOM 903 OE1 GLU A 55 -11.036 -8.095 -7.244 1.00 0.04 O ATOM 904 OE2 GLU A 55 -9.245 -9.082 -8.041 1.00 22.32 O ATOM 0 H GLU A 55 -8.099 -5.329 -11.588 1.00 70.55 H new ATOM 0 HA GLU A 55 -10.684 -4.807 -10.286 1.00 44.13 H new ATOM 0 HB2 GLU A 55 -8.327 -6.265 -9.050 1.00 14.22 H new ATOM 0 HB3 GLU A 55 -9.666 -5.601 -8.135 1.00 14.22 H new ATOM 0 HG2 GLU A 55 -11.207 -7.062 -9.554 1.00 63.22 H new ATOM 0 HG3 GLU A 55 -9.764 -7.837 -10.178 1.00 63.22 H new ATOM 911 N ASP A 56 -9.672 -2.834 -9.088 1.00 23.22 N ATOM 912 CA ASP A 56 -9.148 -1.545 -8.663 1.00 53.43 C ATOM 913 C ASP A 56 -8.298 -1.686 -7.416 1.00 73.10 C ATOM 914 O ASP A 56 -8.403 -2.677 -6.686 1.00 34.02 O ATOM 915 CB ASP A 56 -10.283 -0.547 -8.412 1.00 23.45 C ATOM 916 CG ASP A 56 -11.001 -0.144 -9.681 1.00 51.02 C ATOM 917 OD1 ASP A 56 -10.422 0.619 -10.483 1.00 24.23 O ATOM 918 OD2 ASP A 56 -12.153 -0.575 -9.880 1.00 35.31 O ATOM 0 H ASP A 56 -10.629 -3.021 -8.790 1.00 23.22 H new ATOM 0 HA ASP A 56 -8.521 -1.165 -9.469 1.00 53.43 H new ATOM 0 HB2 ASP A 56 -11.000 -0.986 -7.718 1.00 23.45 H new ATOM 0 HB3 ASP A 56 -9.878 0.343 -7.931 1.00 23.45 H new ATOM 923 N PHE A 57 -7.466 -0.688 -7.167 1.00 12.04 N ATOM 924 CA PHE A 57 -6.580 -0.685 -6.013 1.00 4.45 C ATOM 925 C PHE A 57 -7.383 -0.688 -4.723 1.00 63.30 C ATOM 926 O PHE A 57 -7.188 -1.549 -3.868 1.00 72.45 O ATOM 927 CB PHE A 57 -5.662 0.537 -6.063 1.00 52.54 C ATOM 928 CG PHE A 57 -4.627 0.585 -4.970 1.00 5.32 C ATOM 929 CD1 PHE A 57 -3.383 0.013 -5.155 1.00 74.01 C ATOM 930 CD2 PHE A 57 -4.898 1.211 -3.765 1.00 75.03 C ATOM 931 CE1 PHE A 57 -2.430 0.061 -4.163 1.00 50.45 C ATOM 932 CE2 PHE A 57 -3.945 1.262 -2.769 1.00 12.50 C ATOM 933 CZ PHE A 57 -2.711 0.685 -2.969 1.00 3.21 C ATOM 0 H PHE A 57 -7.385 0.140 -7.756 1.00 12.04 H new ATOM 0 HA PHE A 57 -5.970 -1.588 -6.039 1.00 4.45 H new ATOM 0 HB2 PHE A 57 -5.155 0.555 -7.028 1.00 52.54 H new ATOM 0 HB3 PHE A 57 -6.273 1.438 -6.007 1.00 52.54 H new ATOM 0 HD1 PHE A 57 -3.156 -0.478 -6.090 1.00 74.01 H new ATOM 0 HD2 PHE A 57 -5.865 1.664 -3.603 1.00 75.03 H new ATOM 0 HE1 PHE A 57 -1.462 -0.391 -4.322 1.00 50.45 H new ATOM 0 HE2 PHE A 57 -4.167 1.754 -1.833 1.00 12.50 H new ATOM 0 HZ PHE A 57 -1.964 0.722 -2.190 1.00 3.21 H new ATOM 943 N GLU A 58 -8.293 0.273 -4.597 1.00 65.12 N ATOM 944 CA GLU A 58 -9.152 0.387 -3.422 1.00 21.44 C ATOM 945 C GLU A 58 -9.965 -0.884 -3.231 1.00 23.34 C ATOM 946 O GLU A 58 -10.290 -1.272 -2.104 1.00 63.13 O ATOM 947 CB GLU A 58 -10.094 1.589 -3.549 1.00 44.32 C ATOM 948 CG GLU A 58 -9.387 2.915 -3.780 1.00 35.43 C ATOM 949 CD GLU A 58 -9.211 3.229 -5.249 1.00 22.23 C ATOM 950 OE1 GLU A 58 -8.388 2.564 -5.915 1.00 33.51 O ATOM 951 OE2 GLU A 58 -9.908 4.137 -5.749 1.00 51.21 O ATOM 0 H GLU A 58 -8.456 0.992 -5.302 1.00 65.12 H new ATOM 0 HA GLU A 58 -8.512 0.535 -2.552 1.00 21.44 H new ATOM 0 HB2 GLU A 58 -10.784 1.410 -4.374 1.00 44.32 H new ATOM 0 HB3 GLU A 58 -10.694 1.663 -2.642 1.00 44.32 H new ATOM 0 HG2 GLU A 58 -9.957 3.714 -3.307 1.00 35.43 H new ATOM 0 HG3 GLU A 58 -8.410 2.891 -3.297 1.00 35.43 H new ATOM 958 N SER A 59 -10.286 -1.532 -4.337 1.00 42.10 N ATOM 959 CA SER A 59 -11.026 -2.767 -4.304 1.00 13.52 C ATOM 960 C SER A 59 -10.172 -3.860 -3.669 1.00 63.31 C ATOM 961 O SER A 59 -10.591 -4.512 -2.719 1.00 31.03 O ATOM 962 CB SER A 59 -11.452 -3.167 -5.719 1.00 15.30 C ATOM 963 OG SER A 59 -12.277 -4.316 -5.707 1.00 41.12 O ATOM 0 H SER A 59 -10.040 -1.214 -5.274 1.00 42.10 H new ATOM 0 HA SER A 59 -11.926 -2.631 -3.704 1.00 13.52 H new ATOM 0 HB2 SER A 59 -11.986 -2.340 -6.187 1.00 15.30 H new ATOM 0 HB3 SER A 59 -10.567 -3.360 -6.326 1.00 15.30 H new ATOM 0 HG SER A 59 -12.533 -4.544 -6.625 1.00 41.12 H new ATOM 969 N LEU A 60 -8.958 -4.030 -4.177 1.00 21.10 N ATOM 970 CA LEU A 60 -8.039 -5.029 -3.647 1.00 34.33 C ATOM 971 C LEU A 60 -7.655 -4.704 -2.207 1.00 11.34 C ATOM 972 O LEU A 60 -7.462 -5.606 -1.387 1.00 54.51 O ATOM 973 CB LEU A 60 -6.785 -5.125 -4.521 1.00 64.31 C ATOM 974 CG LEU A 60 -7.005 -5.658 -5.938 1.00 73.41 C ATOM 975 CD1 LEU A 60 -5.722 -5.579 -6.743 1.00 30.35 C ATOM 976 CD2 LEU A 60 -7.515 -7.089 -5.897 1.00 61.34 C ATOM 0 H LEU A 60 -8.586 -3.488 -4.957 1.00 21.10 H new ATOM 0 HA LEU A 60 -8.547 -5.994 -3.658 1.00 34.33 H new ATOM 0 HB2 LEU A 60 -6.336 -4.134 -4.591 1.00 64.31 H new ATOM 0 HB3 LEU A 60 -6.062 -5.768 -4.019 1.00 64.31 H new ATOM 0 HG LEU A 60 -7.757 -5.036 -6.424 1.00 73.41 H new ATOM 0 HD11 LEU A 60 -5.899 -5.963 -7.748 1.00 30.35 H new ATOM 0 HD12 LEU A 60 -5.394 -4.541 -6.803 1.00 30.35 H new ATOM 0 HD13 LEU A 60 -4.950 -6.176 -6.257 1.00 30.35 H new ATOM 0 HD21 LEU A 60 -7.666 -7.451 -6.914 1.00 61.34 H new ATOM 0 HD22 LEU A 60 -6.785 -7.721 -5.391 1.00 61.34 H new ATOM 0 HD23 LEU A 60 -8.461 -7.123 -5.356 1.00 61.34 H new ATOM 988 N ALA A 61 -7.566 -3.416 -1.905 1.00 23.22 N ATOM 989 CA ALA A 61 -7.221 -2.954 -0.569 1.00 52.41 C ATOM 990 C ALA A 61 -8.278 -3.357 0.450 1.00 23.20 C ATOM 991 O ALA A 61 -7.967 -3.627 1.597 1.00 75.03 O ATOM 992 CB ALA A 61 -7.023 -1.446 -0.560 1.00 63.12 C ATOM 0 H ALA A 61 -7.730 -2.666 -2.576 1.00 23.22 H new ATOM 0 HA ALA A 61 -6.284 -3.433 -0.285 1.00 52.41 H new ATOM 0 HB1 ALA A 61 -6.766 -1.119 0.447 1.00 63.12 H new ATOM 0 HB2 ALA A 61 -6.217 -1.181 -1.245 1.00 63.12 H new ATOM 0 HB3 ALA A 61 -7.944 -0.956 -0.876 1.00 63.12 H new ATOM 998 N SER A 62 -9.518 -3.416 0.023 1.00 63.42 N ATOM 999 CA SER A 62 -10.600 -3.790 0.913 1.00 21.30 C ATOM 1000 C SER A 62 -10.923 -5.286 0.797 1.00 53.22 C ATOM 1001 O SER A 62 -11.874 -5.780 1.409 1.00 11.14 O ATOM 1002 CB SER A 62 -11.837 -2.931 0.624 1.00 0.24 C ATOM 1003 OG SER A 62 -12.101 -2.856 -0.774 1.00 73.51 O ATOM 0 H SER A 62 -9.806 -3.211 -0.934 1.00 63.42 H new ATOM 0 HA SER A 62 -10.283 -3.607 1.940 1.00 21.30 H new ATOM 0 HB2 SER A 62 -12.702 -3.351 1.137 1.00 0.24 H new ATOM 0 HB3 SER A 62 -11.686 -1.928 1.022 1.00 0.24 H new ATOM 0 HG SER A 62 -11.493 -2.208 -1.187 1.00 73.51 H new ATOM 1009 N GLN A 63 -10.117 -6.006 0.023 1.00 53.21 N ATOM 1010 CA GLN A 63 -10.330 -7.431 -0.175 1.00 30.45 C ATOM 1011 C GLN A 63 -9.186 -8.269 0.390 1.00 45.34 C ATOM 1012 O GLN A 63 -9.407 -9.164 1.199 1.00 22.22 O ATOM 1013 CB GLN A 63 -10.517 -7.762 -1.666 1.00 40.34 C ATOM 1014 CG GLN A 63 -11.811 -7.236 -2.269 1.00 10.12 C ATOM 1015 CD GLN A 63 -11.966 -7.578 -3.748 1.00 64.13 C ATOM 1016 OE1 GLN A 63 -13.082 -7.745 -4.240 1.00 23.01 O ATOM 1017 NE2 GLN A 63 -10.858 -7.679 -4.463 1.00 61.33 N ATOM 0 H GLN A 63 -9.313 -5.625 -0.475 1.00 53.21 H new ATOM 0 HA GLN A 63 -11.240 -7.685 0.369 1.00 30.45 H new ATOM 0 HB2 GLN A 63 -9.676 -7.351 -2.225 1.00 40.34 H new ATOM 0 HB3 GLN A 63 -10.485 -8.844 -1.792 1.00 40.34 H new ATOM 0 HG2 GLN A 63 -12.656 -7.648 -1.717 1.00 10.12 H new ATOM 0 HG3 GLN A 63 -11.848 -6.153 -2.147 1.00 10.12 H new ATOM 0 HE21 GLN A 63 -9.951 -7.534 -4.021 1.00 61.33 H new ATOM 0 HE22 GLN A 63 -10.911 -7.902 -5.457 1.00 61.33 H new ATOM 1026 N PHE A 64 -7.965 -7.968 -0.022 1.00 43.51 N ATOM 1027 CA PHE A 64 -6.828 -8.802 0.350 1.00 3.31 C ATOM 1028 C PHE A 64 -5.888 -8.143 1.360 1.00 34.24 C ATOM 1029 O PHE A 64 -4.968 -8.790 1.854 1.00 43.54 O ATOM 1030 CB PHE A 64 -6.050 -9.216 -0.895 1.00 13.05 C ATOM 1031 CG PHE A 64 -6.846 -10.064 -1.845 1.00 34.12 C ATOM 1032 CD1 PHE A 64 -6.935 -11.434 -1.661 1.00 2.01 C ATOM 1033 CD2 PHE A 64 -7.507 -9.494 -2.920 1.00 11.11 C ATOM 1034 CE1 PHE A 64 -7.668 -12.218 -2.528 1.00 34.25 C ATOM 1035 CE2 PHE A 64 -8.243 -10.272 -3.792 1.00 21.21 C ATOM 1036 CZ PHE A 64 -8.323 -11.637 -3.594 1.00 33.11 C ATOM 0 H PHE A 64 -7.735 -7.164 -0.606 1.00 43.51 H new ATOM 0 HA PHE A 64 -7.243 -9.681 0.844 1.00 3.31 H new ATOM 0 HB2 PHE A 64 -5.711 -8.321 -1.416 1.00 13.05 H new ATOM 0 HB3 PHE A 64 -5.158 -9.764 -0.591 1.00 13.05 H new ATOM 0 HD1 PHE A 64 -6.424 -11.894 -0.828 1.00 2.01 H new ATOM 0 HD2 PHE A 64 -7.446 -8.427 -3.079 1.00 11.11 H new ATOM 0 HE1 PHE A 64 -7.729 -13.285 -2.372 1.00 34.25 H new ATOM 0 HE2 PHE A 64 -8.754 -9.815 -4.626 1.00 21.21 H new ATOM 0 HZ PHE A 64 -8.898 -12.249 -4.273 1.00 33.11 H new ATOM 1046 N SER A 65 -6.110 -6.886 1.675 1.00 40.45 N ATOM 1047 CA SER A 65 -5.238 -6.208 2.621 1.00 43.33 C ATOM 1048 C SER A 65 -5.591 -6.598 4.049 1.00 0.45 C ATOM 1049 O SER A 65 -6.765 -6.678 4.416 1.00 23.11 O ATOM 1050 CB SER A 65 -5.309 -4.692 2.448 1.00 61.22 C ATOM 1051 OG SER A 65 -4.279 -4.034 3.181 1.00 1.53 O ATOM 0 H SER A 65 -6.870 -6.318 1.301 1.00 40.45 H new ATOM 0 HA SER A 65 -4.214 -6.523 2.417 1.00 43.33 H new ATOM 0 HB2 SER A 65 -5.222 -4.441 1.391 1.00 61.22 H new ATOM 0 HB3 SER A 65 -6.282 -4.332 2.782 1.00 61.22 H new ATOM 0 HG SER A 65 -3.497 -4.621 3.245 1.00 1.53 H new ATOM 1057 N ASP A 66 -4.570 -6.848 4.846 1.00 73.52 N ATOM 1058 CA ASP A 66 -4.750 -7.214 6.244 1.00 65.53 C ATOM 1059 C ASP A 66 -4.626 -5.983 7.135 1.00 42.15 C ATOM 1060 O ASP A 66 -4.544 -6.089 8.364 1.00 75.33 O ATOM 1061 CB ASP A 66 -3.727 -8.281 6.656 1.00 2.34 C ATOM 1062 CG ASP A 66 -2.296 -7.864 6.385 1.00 51.44 C ATOM 1063 OD1 ASP A 66 -1.760 -7.043 7.140 1.00 40.54 O ATOM 1064 OD2 ASP A 66 -1.708 -8.361 5.410 1.00 12.55 O ATOM 0 H ASP A 66 -3.596 -6.804 4.548 1.00 73.52 H new ATOM 0 HA ASP A 66 -5.750 -7.631 6.367 1.00 65.53 H new ATOM 0 HB2 ASP A 66 -3.842 -8.496 7.718 1.00 2.34 H new ATOM 0 HB3 ASP A 66 -3.938 -9.206 6.119 1.00 2.34 H new ATOM 1069 N SER A 67 -4.626 -4.821 6.509 1.00 20.14 N ATOM 1070 CA SER A 67 -4.527 -3.564 7.218 1.00 63.44 C ATOM 1071 C SER A 67 -5.891 -3.155 7.752 1.00 22.53 C ATOM 1072 O SER A 67 -6.914 -3.406 7.119 1.00 51.43 O ATOM 1073 CB SER A 67 -3.982 -2.482 6.281 1.00 15.32 C ATOM 1074 OG SER A 67 -3.878 -1.222 6.930 1.00 63.22 O ATOM 0 H SER A 67 -4.695 -4.724 5.496 1.00 20.14 H new ATOM 0 HA SER A 67 -3.844 -3.683 8.059 1.00 63.44 H new ATOM 0 HB2 SER A 67 -3.001 -2.782 5.912 1.00 15.32 H new ATOM 0 HB3 SER A 67 -4.635 -2.391 5.413 1.00 15.32 H new ATOM 0 HG SER A 67 -3.525 -0.558 6.301 1.00 63.22 H new ATOM 1080 N SER A 68 -5.903 -2.526 8.916 1.00 42.41 N ATOM 1081 CA SER A 68 -7.136 -2.061 9.534 1.00 31.41 C ATOM 1082 C SER A 68 -7.828 -1.015 8.657 1.00 2.14 C ATOM 1083 O SER A 68 -9.050 -0.862 8.694 1.00 54.02 O ATOM 1084 CB SER A 68 -6.826 -1.475 10.909 1.00 3.34 C ATOM 1085 OG SER A 68 -5.748 -0.552 10.831 1.00 23.34 O ATOM 0 H SER A 68 -5.063 -2.324 9.458 1.00 42.41 H new ATOM 0 HA SER A 68 -7.813 -2.908 9.644 1.00 31.41 H new ATOM 0 HB2 SER A 68 -7.711 -0.976 11.305 1.00 3.34 H new ATOM 0 HB3 SER A 68 -6.575 -2.277 11.603 1.00 3.34 H new ATOM 0 HG SER A 68 -5.566 -0.186 11.722 1.00 23.34 H new ATOM 1091 N SER A 69 -7.035 -0.324 7.852 1.00 65.15 N ATOM 1092 CA SER A 69 -7.534 0.721 6.977 1.00 30.15 C ATOM 1093 C SER A 69 -8.273 0.144 5.765 1.00 5.43 C ATOM 1094 O SER A 69 -8.837 0.892 4.962 1.00 63.24 O ATOM 1095 CB SER A 69 -6.383 1.601 6.520 1.00 14.41 C ATOM 1096 OG SER A 69 -5.651 2.094 7.634 1.00 2.23 O ATOM 0 H SER A 69 -6.028 -0.473 7.788 1.00 65.15 H new ATOM 0 HA SER A 69 -8.249 1.319 7.542 1.00 30.15 H new ATOM 0 HB2 SER A 69 -5.721 1.032 5.867 1.00 14.41 H new ATOM 0 HB3 SER A 69 -6.768 2.436 5.934 1.00 14.41 H new ATOM 0 HG SER A 69 -4.810 2.489 7.324 1.00 2.23 H new ATOM 1102 N ALA A 70 -8.261 -1.186 5.635 1.00 71.43 N ATOM 1103 CA ALA A 70 -8.938 -1.867 4.528 1.00 41.42 C ATOM 1104 C ALA A 70 -10.419 -1.506 4.482 1.00 10.51 C ATOM 1105 O ALA A 70 -11.017 -1.435 3.410 1.00 4.31 O ATOM 1106 CB ALA A 70 -8.770 -3.371 4.652 1.00 34.23 C ATOM 0 H ALA A 70 -7.788 -1.814 6.285 1.00 71.43 H new ATOM 0 HA ALA A 70 -8.478 -1.534 3.598 1.00 41.42 H new ATOM 0 HB1 ALA A 70 -9.278 -3.863 3.823 1.00 34.23 H new ATOM 0 HB2 ALA A 70 -7.710 -3.622 4.628 1.00 34.23 H new ATOM 0 HB3 ALA A 70 -9.202 -3.709 5.594 1.00 34.23 H new ATOM 1112 N LYS A 71 -11.000 -1.259 5.653 1.00 14.32 N ATOM 1113 CA LYS A 71 -12.412 -0.883 5.750 1.00 72.23 C ATOM 1114 C LYS A 71 -12.665 0.450 5.041 1.00 71.41 C ATOM 1115 O LYS A 71 -13.725 0.671 4.458 1.00 42.32 O ATOM 1116 CB LYS A 71 -12.863 -0.792 7.220 1.00 22.24 C ATOM 1117 CG LYS A 71 -13.005 -2.139 7.939 1.00 61.21 C ATOM 1118 CD LYS A 71 -11.661 -2.810 8.180 1.00 20.13 C ATOM 1119 CE LYS A 71 -11.821 -4.128 8.922 1.00 74.33 C ATOM 1120 NZ LYS A 71 -12.423 -3.950 10.269 1.00 33.42 N ATOM 0 H LYS A 71 -10.517 -1.312 6.550 1.00 14.32 H new ATOM 0 HA LYS A 71 -12.997 -1.661 5.259 1.00 72.23 H new ATOM 0 HB2 LYS A 71 -12.146 -0.179 7.767 1.00 22.24 H new ATOM 0 HB3 LYS A 71 -13.821 -0.274 7.259 1.00 22.24 H new ATOM 0 HG2 LYS A 71 -13.509 -1.987 8.893 1.00 61.21 H new ATOM 0 HG3 LYS A 71 -13.637 -2.800 7.346 1.00 61.21 H new ATOM 0 HD2 LYS A 71 -11.165 -2.986 7.226 1.00 20.13 H new ATOM 0 HD3 LYS A 71 -11.018 -2.143 8.755 1.00 20.13 H new ATOM 0 HE2 LYS A 71 -12.446 -4.800 8.334 1.00 74.33 H new ATOM 0 HE3 LYS A 71 -10.847 -4.606 9.023 1.00 74.33 H new ATOM 0 HZ1 LYS A 71 -12.311 -4.826 10.818 1.00 33.42 H new ATOM 0 HZ2 LYS A 71 -11.945 -3.169 10.763 1.00 33.42 H new ATOM 0 HZ3 LYS A 71 -13.435 -3.729 10.171 1.00 33.42 H new ATOM 1134 N ALA A 72 -11.667 1.321 5.075 1.00 53.11 N ATOM 1135 CA ALA A 72 -11.755 2.618 4.426 1.00 42.31 C ATOM 1136 C ALA A 72 -11.200 2.536 3.010 1.00 73.11 C ATOM 1137 O ALA A 72 -10.891 3.553 2.389 1.00 12.21 O ATOM 1138 CB ALA A 72 -10.999 3.662 5.233 1.00 4.53 C ATOM 0 H ALA A 72 -10.781 1.149 5.550 1.00 53.11 H new ATOM 0 HA ALA A 72 -12.803 2.913 4.372 1.00 42.31 H new ATOM 0 HB1 ALA A 72 -11.073 4.629 4.736 1.00 4.53 H new ATOM 0 HB2 ALA A 72 -11.431 3.733 6.231 1.00 4.53 H new ATOM 0 HB3 ALA A 72 -9.951 3.373 5.311 1.00 4.53 H new ATOM 1144 N ARG A 73 -11.070 1.297 2.514 1.00 33.53 N ATOM 1145 CA ARG A 73 -10.570 1.017 1.162 1.00 24.44 C ATOM 1146 C ARG A 73 -9.097 1.383 1.012 1.00 13.02 C ATOM 1147 O ARG A 73 -8.577 1.448 -0.095 1.00 24.24 O ATOM 1148 CB ARG A 73 -11.410 1.725 0.090 1.00 65.31 C ATOM 1149 CG ARG A 73 -12.720 1.024 -0.262 1.00 1.14 C ATOM 1150 CD ARG A 73 -13.717 1.039 0.890 1.00 30.42 C ATOM 1151 NE ARG A 73 -15.017 0.504 0.487 1.00 0.11 N ATOM 1152 CZ ARG A 73 -16.053 0.315 1.308 1.00 73.35 C ATOM 1153 NH1 ARG A 73 -15.934 0.552 2.612 1.00 3.12 N ATOM 1154 NH2 ARG A 73 -17.206 -0.129 0.818 1.00 14.15 N ATOM 0 H ARG A 73 -11.310 0.458 3.042 1.00 33.53 H new ATOM 0 HA ARG A 73 -10.664 -0.059 1.013 1.00 24.44 H new ATOM 0 HB2 ARG A 73 -11.635 2.735 0.433 1.00 65.31 H new ATOM 0 HB3 ARG A 73 -10.811 1.822 -0.816 1.00 65.31 H new ATOM 0 HG2 ARG A 73 -13.166 1.509 -1.131 1.00 1.14 H new ATOM 0 HG3 ARG A 73 -12.512 -0.008 -0.545 1.00 1.14 H new ATOM 0 HD2 ARG A 73 -13.323 0.452 1.720 1.00 30.42 H new ATOM 0 HD3 ARG A 73 -13.840 2.060 1.252 1.00 30.42 H new ATOM 0 HE ARG A 73 -15.142 0.257 -0.495 1.00 0.11 H new ATOM 0 HH11 ARG A 73 -15.046 0.881 2.992 1.00 3.12 H new ATOM 0 HH12 ARG A 73 -16.731 0.405 3.232 1.00 3.12 H new ATOM 0 HH21 ARG A 73 -17.295 -0.323 -0.179 1.00 14.15 H new ATOM 0 HH22 ARG A 73 -18.001 -0.276 1.439 1.00 14.15 H new ATOM 1168 N GLY A 74 -8.429 1.604 2.134 1.00 44.02 N ATOM 1169 CA GLY A 74 -7.023 1.941 2.103 1.00 4.12 C ATOM 1170 C GLY A 74 -6.776 3.402 1.785 1.00 10.25 C ATOM 1171 O GLY A 74 -5.635 3.814 1.588 1.00 23.50 O ATOM 0 H GLY A 74 -8.838 1.556 3.067 1.00 44.02 H new ATOM 0 HA2 GLY A 74 -6.576 1.703 3.068 1.00 4.12 H new ATOM 0 HA3 GLY A 74 -6.522 1.322 1.359 1.00 4.12 H new ATOM 1175 N ASP A 75 -7.837 4.185 1.738 1.00 61.23 N ATOM 1176 CA ASP A 75 -7.724 5.611 1.441 1.00 42.20 C ATOM 1177 C ASP A 75 -7.296 6.390 2.678 1.00 14.44 C ATOM 1178 O ASP A 75 -7.770 6.127 3.786 1.00 31.02 O ATOM 1179 CB ASP A 75 -9.053 6.156 0.907 1.00 3.01 C ATOM 1180 CG ASP A 75 -9.056 7.669 0.764 1.00 21.14 C ATOM 1181 OD1 ASP A 75 -8.318 8.196 -0.094 1.00 2.12 O ATOM 1182 OD2 ASP A 75 -9.809 8.336 1.498 1.00 25.22 O ATOM 0 H ASP A 75 -8.791 3.863 1.901 1.00 61.23 H new ATOM 0 HA ASP A 75 -6.960 5.736 0.673 1.00 42.20 H new ATOM 0 HB2 ASP A 75 -9.262 5.704 -0.063 1.00 3.01 H new ATOM 0 HB3 ASP A 75 -9.858 5.858 1.578 1.00 3.01 H new ATOM 1187 N LEU A 76 -6.375 7.322 2.491 1.00 14.23 N ATOM 1188 CA LEU A 76 -5.910 8.162 3.589 1.00 2.22 C ATOM 1189 C LEU A 76 -6.567 9.526 3.516 1.00 1.24 C ATOM 1190 O LEU A 76 -6.649 10.246 4.517 1.00 31.31 O ATOM 1191 CB LEU A 76 -4.379 8.346 3.561 1.00 43.20 C ATOM 1192 CG LEU A 76 -3.518 7.095 3.768 1.00 1.20 C ATOM 1193 CD1 LEU A 76 -3.453 6.261 2.505 1.00 21.42 C ATOM 1194 CD2 LEU A 76 -2.120 7.484 4.219 1.00 0.41 C ATOM 0 H LEU A 76 -5.934 7.517 1.592 1.00 14.23 H new ATOM 0 HA LEU A 76 -6.182 7.660 4.517 1.00 2.22 H new ATOM 0 HB2 LEU A 76 -4.109 8.786 2.601 1.00 43.20 H new ATOM 0 HB3 LEU A 76 -4.112 9.071 4.330 1.00 43.20 H new ATOM 0 HG LEU A 76 -3.983 6.490 4.547 1.00 1.20 H new ATOM 0 HD11 LEU A 76 -2.836 5.380 2.682 1.00 21.42 H new ATOM 0 HD12 LEU A 76 -4.459 5.949 2.223 1.00 21.42 H new ATOM 0 HD13 LEU A 76 -3.018 6.853 1.700 1.00 21.42 H new ATOM 0 HD21 LEU A 76 -1.520 6.585 4.362 1.00 0.41 H new ATOM 0 HD22 LEU A 76 -1.655 8.114 3.460 1.00 0.41 H new ATOM 0 HD23 LEU A 76 -2.180 8.033 5.159 1.00 0.41 H new ATOM 1206 N GLY A 77 -7.046 9.873 2.336 1.00 13.31 N ATOM 1207 CA GLY A 77 -7.615 11.177 2.126 1.00 10.10 C ATOM 1208 C GLY A 77 -6.546 12.173 1.750 1.00 41.43 C ATOM 1209 O GLY A 77 -5.408 11.786 1.487 1.00 42.01 O ATOM 0 H GLY A 77 -7.049 9.267 1.515 1.00 13.31 H new ATOM 0 HA2 GLY A 77 -8.367 11.128 1.338 1.00 10.10 H new ATOM 0 HA3 GLY A 77 -8.124 11.507 3.032 1.00 10.10 H new ATOM 1213 N ALA A 78 -6.895 13.442 1.705 1.00 24.10 N ATOM 1214 CA ALA A 78 -5.925 14.468 1.371 1.00 43.30 C ATOM 1215 C ALA A 78 -5.045 14.768 2.572 1.00 64.24 C ATOM 1216 O ALA A 78 -5.494 15.378 3.545 1.00 42.43 O ATOM 1217 CB ALA A 78 -6.627 15.731 0.890 1.00 22.31 C ATOM 0 H ALA A 78 -7.836 13.788 1.894 1.00 24.10 H new ATOM 0 HA ALA A 78 -5.294 14.101 0.562 1.00 43.30 H new ATOM 0 HB1 ALA A 78 -5.884 16.489 0.644 1.00 22.31 H new ATOM 0 HB2 ALA A 78 -7.219 15.503 0.004 1.00 22.31 H new ATOM 0 HB3 ALA A 78 -7.281 16.106 1.677 1.00 22.31 H new ATOM 1223 N PHE A 79 -3.801 14.337 2.504 1.00 52.45 N ATOM 1224 CA PHE A 79 -2.866 14.530 3.598 1.00 41.32 C ATOM 1225 C PHE A 79 -1.624 15.272 3.122 1.00 45.32 C ATOM 1226 O PHE A 79 -1.556 15.720 1.975 1.00 12.32 O ATOM 1227 CB PHE A 79 -2.478 13.172 4.225 1.00 30.41 C ATOM 1228 CG PHE A 79 -1.760 12.224 3.287 1.00 42.23 C ATOM 1229 CD1 PHE A 79 -2.474 11.362 2.470 1.00 72.10 C ATOM 1230 CD2 PHE A 79 -0.374 12.197 3.229 1.00 53.10 C ATOM 1231 CE1 PHE A 79 -1.821 10.496 1.615 1.00 23.25 C ATOM 1232 CE2 PHE A 79 0.283 11.331 2.378 1.00 65.05 C ATOM 1233 CZ PHE A 79 -0.442 10.480 1.569 1.00 31.34 C ATOM 0 H PHE A 79 -3.411 13.848 1.698 1.00 52.45 H new ATOM 0 HA PHE A 79 -3.354 15.136 4.361 1.00 41.32 H new ATOM 0 HB2 PHE A 79 -1.842 13.356 5.091 1.00 30.41 H new ATOM 0 HB3 PHE A 79 -3.382 12.685 4.591 1.00 30.41 H new ATOM 0 HD1 PHE A 79 -3.554 11.367 2.502 1.00 72.10 H new ATOM 0 HD2 PHE A 79 0.199 12.862 3.858 1.00 53.10 H new ATOM 0 HE1 PHE A 79 -2.390 9.831 0.982 1.00 23.25 H new ATOM 0 HE2 PHE A 79 1.362 11.320 2.345 1.00 65.05 H new ATOM 0 HZ PHE A 79 0.069 9.803 0.901 1.00 31.34 H new ATOM 1243 N SER A 80 -0.656 15.403 4.001 1.00 72.01 N ATOM 1244 CA SER A 80 0.582 16.069 3.681 1.00 62.23 C ATOM 1245 C SER A 80 1.716 15.441 4.491 1.00 51.41 C ATOM 1246 O SER A 80 1.550 14.365 5.067 1.00 23.05 O ATOM 1247 CB SER A 80 0.465 17.572 3.976 1.00 32.21 C ATOM 1248 OG SER A 80 1.526 18.305 3.368 1.00 62.03 O ATOM 0 H SER A 80 -0.707 15.050 4.957 1.00 72.01 H new ATOM 0 HA SER A 80 0.799 15.950 2.619 1.00 62.23 H new ATOM 0 HB2 SER A 80 -0.492 17.943 3.610 1.00 32.21 H new ATOM 0 HB3 SER A 80 0.479 17.735 5.054 1.00 32.21 H new ATOM 0 HG SER A 80 1.343 18.413 2.411 1.00 62.03 H new ATOM 1254 N ARG A 81 2.851 16.111 4.535 1.00 20.20 N ATOM 1255 CA ARG A 81 4.010 15.614 5.261 1.00 64.34 C ATOM 1256 C ARG A 81 3.763 15.582 6.771 1.00 63.13 C ATOM 1257 O ARG A 81 3.235 16.538 7.351 1.00 20.42 O ATOM 1258 CB ARG A 81 5.248 16.458 4.947 1.00 42.42 C ATOM 1259 CG ARG A 81 5.036 17.954 5.117 1.00 23.32 C ATOM 1260 CD ARG A 81 6.350 18.706 5.054 1.00 41.42 C ATOM 1261 NE ARG A 81 7.208 18.391 6.194 1.00 43.22 N ATOM 1262 CZ ARG A 81 8.531 18.558 6.215 1.00 40.13 C ATOM 1263 NH1 ARG A 81 9.166 19.017 5.142 1.00 2.04 N ATOM 1264 NH2 ARG A 81 9.213 18.262 7.311 1.00 73.53 N ATOM 0 H ARG A 81 2.998 17.009 4.073 1.00 20.20 H new ATOM 0 HA ARG A 81 4.185 14.591 4.929 1.00 64.34 H new ATOM 0 HB2 ARG A 81 6.065 16.141 5.595 1.00 42.42 H new ATOM 0 HB3 ARG A 81 5.560 16.260 3.921 1.00 42.42 H new ATOM 0 HG2 ARG A 81 4.367 18.320 4.338 1.00 23.32 H new ATOM 0 HG3 ARG A 81 4.549 18.148 6.072 1.00 23.32 H new ATOM 0 HD2 ARG A 81 6.868 18.456 4.128 1.00 41.42 H new ATOM 0 HD3 ARG A 81 6.155 19.778 5.031 1.00 41.42 H new ATOM 0 HE ARG A 81 6.764 18.017 7.033 1.00 43.22 H new ATOM 0 HH11 ARG A 81 8.642 19.243 4.297 1.00 2.04 H new ATOM 0 HH12 ARG A 81 10.178 19.143 5.163 1.00 2.04 H new ATOM 0 HH21 ARG A 81 8.726 17.908 8.134 1.00 73.53 H new ATOM 0 HH22 ARG A 81 10.225 18.388 7.332 1.00 73.53 H new ATOM 1278 N GLY A 82 4.139 14.478 7.394 1.00 35.31 N ATOM 1279 CA GLY A 82 3.991 14.330 8.822 1.00 61.34 C ATOM 1280 C GLY A 82 2.813 13.458 9.191 1.00 15.23 C ATOM 1281 O GLY A 82 2.299 13.541 10.308 1.00 55.33 O ATOM 0 H GLY A 82 4.550 13.671 6.926 1.00 35.31 H new ATOM 0 HA2 GLY A 82 4.903 13.899 9.236 1.00 61.34 H new ATOM 0 HA3 GLY A 82 3.868 15.313 9.276 1.00 61.34 H new ATOM 1285 N GLN A 83 2.393 12.605 8.268 1.00 13.33 N ATOM 1286 CA GLN A 83 1.226 11.759 8.487 1.00 52.54 C ATOM 1287 C GLN A 83 1.550 10.270 8.335 1.00 34.54 C ATOM 1288 O GLN A 83 0.993 9.432 9.047 1.00 43.01 O ATOM 1289 CB GLN A 83 0.105 12.137 7.512 1.00 22.51 C ATOM 1290 CG GLN A 83 -0.444 13.545 7.699 1.00 54.51 C ATOM 1291 CD GLN A 83 -1.117 13.738 9.040 1.00 14.30 C ATOM 1292 OE1 GLN A 83 -0.487 14.147 10.014 1.00 40.00 O ATOM 1293 NE2 GLN A 83 -2.397 13.436 9.102 1.00 25.11 N ATOM 0 H GLN A 83 2.842 12.479 7.361 1.00 13.33 H new ATOM 0 HA GLN A 83 0.900 11.928 9.514 1.00 52.54 H new ATOM 0 HB2 GLN A 83 0.478 12.038 6.493 1.00 22.51 H new ATOM 0 HB3 GLN A 83 -0.712 11.424 7.623 1.00 22.51 H new ATOM 0 HG2 GLN A 83 0.369 14.264 7.599 1.00 54.51 H new ATOM 0 HG3 GLN A 83 -1.159 13.760 6.905 1.00 54.51 H new ATOM 0 HE21 GLN A 83 -2.883 13.100 8.270 1.00 25.11 H new ATOM 0 HE22 GLN A 83 -2.903 13.538 9.982 1.00 25.11 H new ATOM 1302 N MET A 84 2.451 9.940 7.423 1.00 45.24 N ATOM 1303 CA MET A 84 2.750 8.540 7.140 1.00 20.35 C ATOM 1304 C MET A 84 4.262 8.307 7.029 1.00 53.03 C ATOM 1305 O MET A 84 5.044 9.256 7.047 1.00 4.02 O ATOM 1306 CB MET A 84 2.023 8.119 5.841 1.00 50.42 C ATOM 1307 CG MET A 84 2.151 6.641 5.472 1.00 44.54 C ATOM 1308 SD MET A 84 1.639 5.530 6.799 1.00 12.22 S ATOM 1309 CE MET A 84 -0.085 5.986 6.987 1.00 13.24 C ATOM 0 H MET A 84 2.984 10.612 6.870 1.00 45.24 H new ATOM 0 HA MET A 84 2.393 7.925 7.966 1.00 20.35 H new ATOM 0 HB2 MET A 84 0.965 8.361 5.941 1.00 50.42 H new ATOM 0 HB3 MET A 84 2.411 8.718 5.017 1.00 50.42 H new ATOM 0 HG2 MET A 84 1.548 6.441 4.586 1.00 44.54 H new ATOM 0 HG3 MET A 84 3.187 6.428 5.207 1.00 44.54 H new ATOM 0 HE1 MET A 84 -0.243 6.411 7.978 1.00 13.24 H new ATOM 0 HE2 MET A 84 -0.351 6.723 6.230 1.00 13.24 H new ATOM 0 HE3 MET A 84 -0.710 5.101 6.868 1.00 13.24 H new ATOM 1319 N GLN A 85 4.662 7.031 6.950 1.00 34.25 N ATOM 1320 CA GLN A 85 6.063 6.658 6.793 1.00 31.14 C ATOM 1321 C GLN A 85 6.656 7.338 5.565 1.00 25.11 C ATOM 1322 O GLN A 85 5.989 7.449 4.530 1.00 1.02 O ATOM 1323 CB GLN A 85 6.198 5.135 6.655 1.00 50.13 C ATOM 1324 CG GLN A 85 5.629 4.347 7.825 1.00 72.42 C ATOM 1325 CD GLN A 85 6.312 4.665 9.138 1.00 21.32 C ATOM 1326 OE1 GLN A 85 5.897 5.567 9.863 1.00 63.23 O ATOM 1327 NE2 GLN A 85 7.354 3.923 9.460 1.00 12.23 N ATOM 0 H GLN A 85 4.023 6.237 6.993 1.00 34.25 H new ATOM 0 HA GLN A 85 6.607 6.984 7.679 1.00 31.14 H new ATOM 0 HB2 GLN A 85 5.696 4.819 5.741 1.00 50.13 H new ATOM 0 HB3 GLN A 85 7.253 4.884 6.542 1.00 50.13 H new ATOM 0 HG2 GLN A 85 4.564 4.559 7.915 1.00 72.42 H new ATOM 0 HG3 GLN A 85 5.726 3.281 7.620 1.00 72.42 H new ATOM 0 HE21 GLN A 85 7.668 3.184 8.831 1.00 12.23 H new ATOM 0 HE22 GLN A 85 7.846 4.088 10.338 1.00 12.23 H new ATOM 1336 N LYS A 86 7.904 7.768 5.679 1.00 50.54 N ATOM 1337 CA LYS A 86 8.588 8.498 4.607 1.00 41.33 C ATOM 1338 C LYS A 86 8.526 7.773 3.239 1.00 33.00 C ATOM 1339 O LYS A 86 8.186 8.402 2.246 1.00 55.33 O ATOM 1340 CB LYS A 86 10.040 8.821 4.991 1.00 52.01 C ATOM 1341 CG LYS A 86 10.742 9.741 4.002 1.00 61.53 C ATOM 1342 CD LYS A 86 12.177 10.015 4.416 1.00 71.02 C ATOM 1343 CE LYS A 86 12.872 10.943 3.430 1.00 12.14 C ATOM 1344 NZ LYS A 86 14.277 11.217 3.824 1.00 2.21 N ATOM 0 H LYS A 86 8.475 7.624 6.512 1.00 50.54 H new ATOM 0 HA LYS A 86 8.044 9.435 4.485 1.00 41.33 H new ATOM 0 HB2 LYS A 86 10.051 9.285 5.977 1.00 52.01 H new ATOM 0 HB3 LYS A 86 10.602 7.890 5.070 1.00 52.01 H new ATOM 0 HG2 LYS A 86 10.729 9.288 3.011 1.00 61.53 H new ATOM 0 HG3 LYS A 86 10.197 10.682 3.930 1.00 61.53 H new ATOM 0 HD2 LYS A 86 12.191 10.461 5.410 1.00 71.02 H new ATOM 0 HD3 LYS A 86 12.724 9.075 4.481 1.00 71.02 H new ATOM 0 HE2 LYS A 86 12.854 10.496 2.436 1.00 12.14 H new ATOM 0 HE3 LYS A 86 12.323 11.882 3.367 1.00 12.14 H new ATOM 0 HZ1 LYS A 86 14.715 11.853 3.127 1.00 2.21 H new ATOM 0 HZ2 LYS A 86 14.293 11.667 4.761 1.00 2.21 H new ATOM 0 HZ3 LYS A 86 14.808 10.324 3.860 1.00 2.21 H new ATOM 1358 N PRO A 87 8.845 6.440 3.160 1.00 61.43 N ATOM 1359 CA PRO A 87 8.792 5.691 1.886 1.00 71.44 C ATOM 1360 C PRO A 87 7.453 5.851 1.150 1.00 13.21 C ATOM 1361 O PRO A 87 7.395 5.781 -0.076 1.00 21.10 O ATOM 1362 CB PRO A 87 8.983 4.239 2.324 1.00 3.42 C ATOM 1363 CG PRO A 87 9.773 4.328 3.576 1.00 22.13 C ATOM 1364 CD PRO A 87 9.306 5.575 4.273 1.00 0.44 C ATOM 0 HA PRO A 87 9.542 6.049 1.180 1.00 71.44 H new ATOM 0 HB2 PRO A 87 8.025 3.747 2.493 1.00 3.42 H new ATOM 0 HB3 PRO A 87 9.508 3.661 1.564 1.00 3.42 H new ATOM 0 HG2 PRO A 87 9.614 3.449 4.201 1.00 22.13 H new ATOM 0 HG3 PRO A 87 10.840 4.378 3.361 1.00 22.13 H new ATOM 0 HD2 PRO A 87 8.501 5.364 4.977 1.00 0.44 H new ATOM 0 HD3 PRO A 87 10.111 6.044 4.839 1.00 0.44 H new ATOM 1372 N PHE A 88 6.389 6.075 1.906 1.00 64.41 N ATOM 1373 CA PHE A 88 5.062 6.242 1.333 1.00 62.53 C ATOM 1374 C PHE A 88 4.747 7.722 1.145 1.00 65.02 C ATOM 1375 O PHE A 88 4.335 8.159 0.065 1.00 32.12 O ATOM 1376 CB PHE A 88 4.007 5.595 2.250 1.00 74.45 C ATOM 1377 CG PHE A 88 2.597 5.670 1.715 1.00 23.05 C ATOM 1378 CD1 PHE A 88 1.813 6.797 1.923 1.00 61.23 C ATOM 1379 CD2 PHE A 88 2.064 4.617 1.001 1.00 34.23 C ATOM 1380 CE1 PHE A 88 0.527 6.866 1.428 1.00 62.41 C ATOM 1381 CE2 PHE A 88 0.780 4.680 0.502 1.00 14.05 C ATOM 1382 CZ PHE A 88 0.010 5.805 0.714 1.00 40.34 C ATOM 0 H PHE A 88 6.419 6.146 2.923 1.00 64.41 H new ATOM 0 HA PHE A 88 5.039 5.752 0.360 1.00 62.53 H new ATOM 0 HB2 PHE A 88 4.270 4.549 2.407 1.00 74.45 H new ATOM 0 HB3 PHE A 88 4.041 6.082 3.225 1.00 74.45 H new ATOM 0 HD1 PHE A 88 2.215 7.631 2.480 1.00 61.23 H new ATOM 0 HD2 PHE A 88 2.660 3.732 0.831 1.00 34.23 H new ATOM 0 HE1 PHE A 88 -0.073 7.748 1.599 1.00 62.41 H new ATOM 0 HE2 PHE A 88 0.377 3.848 -0.055 1.00 14.05 H new ATOM 0 HZ PHE A 88 -0.995 5.855 0.322 1.00 40.34 H new ATOM 1392 N GLU A 89 4.961 8.483 2.201 1.00 42.22 N ATOM 1393 CA GLU A 89 4.654 9.902 2.230 1.00 12.25 C ATOM 1394 C GLU A 89 5.456 10.673 1.177 1.00 22.54 C ATOM 1395 O GLU A 89 4.892 11.431 0.390 1.00 43.50 O ATOM 1396 CB GLU A 89 4.946 10.443 3.624 1.00 3.51 C ATOM 1397 CG GLU A 89 4.471 11.856 3.865 1.00 32.43 C ATOM 1398 CD GLU A 89 4.747 12.304 5.274 1.00 12.15 C ATOM 1399 OE1 GLU A 89 3.953 11.973 6.176 1.00 43.22 O ATOM 1400 OE2 GLU A 89 5.763 12.994 5.495 1.00 63.01 O ATOM 0 H GLU A 89 5.357 8.131 3.073 1.00 42.22 H new ATOM 0 HA GLU A 89 3.599 10.037 1.994 1.00 12.25 H new ATOM 0 HB2 GLU A 89 4.479 9.787 4.359 1.00 3.51 H new ATOM 0 HB3 GLU A 89 6.021 10.401 3.797 1.00 3.51 H new ATOM 0 HG2 GLU A 89 4.965 12.530 3.166 1.00 32.43 H new ATOM 0 HG3 GLU A 89 3.401 11.919 3.666 1.00 32.43 H new ATOM 1407 N ASP A 90 6.761 10.455 1.156 1.00 65.10 N ATOM 1408 CA ASP A 90 7.646 11.139 0.215 1.00 14.23 C ATOM 1409 C ASP A 90 7.309 10.766 -1.223 1.00 41.44 C ATOM 1410 O ASP A 90 7.306 11.620 -2.116 1.00 35.15 O ATOM 1411 CB ASP A 90 9.112 10.807 0.518 1.00 42.32 C ATOM 1412 CG ASP A 90 10.066 11.406 -0.490 1.00 63.54 C ATOM 1413 OD1 ASP A 90 10.282 12.634 -0.451 1.00 42.30 O ATOM 1414 OD2 ASP A 90 10.596 10.654 -1.336 1.00 23.23 O ATOM 0 H ASP A 90 7.237 9.806 1.783 1.00 65.10 H new ATOM 0 HA ASP A 90 7.497 12.212 0.333 1.00 14.23 H new ATOM 0 HB2 ASP A 90 9.365 11.173 1.513 1.00 42.32 H new ATOM 0 HB3 ASP A 90 9.239 9.725 0.534 1.00 42.32 H new ATOM 1419 N ALA A 91 6.995 9.492 -1.433 1.00 4.44 N ATOM 1420 CA ALA A 91 6.657 8.987 -2.759 1.00 31.14 C ATOM 1421 C ALA A 91 5.379 9.620 -3.279 1.00 5.35 C ATOM 1422 O ALA A 91 5.227 9.836 -4.480 1.00 54.54 O ATOM 1423 CB ALA A 91 6.514 7.480 -2.727 1.00 3.12 C ATOM 0 H ALA A 91 6.968 8.786 -0.697 1.00 4.44 H new ATOM 0 HA ALA A 91 7.469 9.254 -3.436 1.00 31.14 H new ATOM 0 HB1 ALA A 91 6.262 7.117 -3.723 1.00 3.12 H new ATOM 0 HB2 ALA A 91 7.454 7.032 -2.405 1.00 3.12 H new ATOM 0 HB3 ALA A 91 5.723 7.204 -2.029 1.00 3.12 H new ATOM 1429 N SER A 92 4.469 9.933 -2.368 1.00 72.31 N ATOM 1430 CA SER A 92 3.199 10.546 -2.724 1.00 53.24 C ATOM 1431 C SER A 92 3.408 11.893 -3.423 1.00 63.02 C ATOM 1432 O SER A 92 2.631 12.279 -4.291 1.00 11.13 O ATOM 1433 CB SER A 92 2.336 10.718 -1.478 1.00 71.33 C ATOM 1434 OG SER A 92 2.041 9.457 -0.889 1.00 14.35 O ATOM 0 H SER A 92 4.589 9.770 -1.368 1.00 72.31 H new ATOM 0 HA SER A 92 2.686 9.886 -3.424 1.00 53.24 H new ATOM 0 HB2 SER A 92 2.854 11.349 -0.756 1.00 71.33 H new ATOM 0 HB3 SER A 92 1.409 11.228 -1.740 1.00 71.33 H new ATOM 0 HG SER A 92 1.158 9.155 -1.188 1.00 14.35 H new ATOM 1440 N PHE A 93 4.472 12.587 -3.051 1.00 13.32 N ATOM 1441 CA PHE A 93 4.779 13.873 -3.654 1.00 62.12 C ATOM 1442 C PHE A 93 5.606 13.685 -4.925 1.00 44.11 C ATOM 1443 O PHE A 93 5.666 14.574 -5.775 1.00 41.24 O ATOM 1444 CB PHE A 93 5.539 14.767 -2.667 1.00 12.02 C ATOM 1445 CG PHE A 93 4.809 15.021 -1.374 1.00 45.44 C ATOM 1446 CD1 PHE A 93 3.640 15.766 -1.354 1.00 1.32 C ATOM 1447 CD2 PHE A 93 5.299 14.522 -0.179 1.00 60.21 C ATOM 1448 CE1 PHE A 93 2.975 16.007 -0.167 1.00 33.03 C ATOM 1449 CE2 PHE A 93 4.637 14.757 1.012 1.00 74.22 C ATOM 1450 CZ PHE A 93 3.475 15.501 1.018 1.00 70.35 C ATOM 0 H PHE A 93 5.134 12.283 -2.338 1.00 13.32 H new ATOM 0 HA PHE A 93 3.838 14.358 -3.913 1.00 62.12 H new ATOM 0 HB2 PHE A 93 6.501 14.306 -2.443 1.00 12.02 H new ATOM 0 HB3 PHE A 93 5.748 15.723 -3.147 1.00 12.02 H new ATOM 0 HD1 PHE A 93 3.244 16.163 -2.277 1.00 1.32 H new ATOM 0 HD2 PHE A 93 6.210 13.942 -0.177 1.00 60.21 H new ATOM 0 HE1 PHE A 93 2.066 16.590 -0.165 1.00 33.03 H new ATOM 0 HE2 PHE A 93 5.029 14.359 1.936 1.00 74.22 H new ATOM 0 HZ PHE A 93 2.957 15.688 1.947 1.00 70.35 H new ATOM 1460 N ALA A 94 6.230 12.521 -5.048 1.00 5.45 N ATOM 1461 CA ALA A 94 7.076 12.216 -6.195 1.00 64.34 C ATOM 1462 C ALA A 94 6.255 11.710 -7.371 1.00 41.52 C ATOM 1463 O ALA A 94 6.485 12.099 -8.521 1.00 41.25 O ATOM 1464 CB ALA A 94 8.132 11.191 -5.814 1.00 74.13 C ATOM 0 H ALA A 94 6.166 11.768 -4.363 1.00 5.45 H new ATOM 0 HA ALA A 94 7.568 13.139 -6.501 1.00 64.34 H new ATOM 0 HB1 ALA A 94 8.757 10.973 -6.680 1.00 74.13 H new ATOM 0 HB2 ALA A 94 8.752 11.589 -5.011 1.00 74.13 H new ATOM 0 HB3 ALA A 94 7.646 10.275 -5.477 1.00 74.13 H new ATOM 1470 N LEU A 95 5.307 10.844 -7.084 1.00 60.22 N ATOM 1471 CA LEU A 95 4.455 10.267 -8.109 1.00 74.25 C ATOM 1472 C LEU A 95 3.326 11.224 -8.458 1.00 1.50 C ATOM 1473 O LEU A 95 2.836 11.944 -7.594 1.00 33.23 O ATOM 1474 CB LEU A 95 3.868 8.944 -7.610 1.00 64.34 C ATOM 1475 CG LEU A 95 4.878 7.901 -7.128 1.00 54.31 C ATOM 1476 CD1 LEU A 95 4.159 6.674 -6.594 1.00 43.41 C ATOM 1477 CD2 LEU A 95 5.827 7.512 -8.249 1.00 64.34 C ATOM 0 H LEU A 95 5.103 10.519 -6.139 1.00 60.22 H new ATOM 0 HA LEU A 95 5.055 10.086 -9.001 1.00 74.25 H new ATOM 0 HB2 LEU A 95 3.181 9.160 -6.792 1.00 64.34 H new ATOM 0 HB3 LEU A 95 3.278 8.505 -8.415 1.00 64.34 H new ATOM 0 HG LEU A 95 5.464 8.341 -6.321 1.00 54.31 H new ATOM 0 HD11 LEU A 95 4.892 5.942 -6.255 1.00 43.41 H new ATOM 0 HD12 LEU A 95 3.520 6.961 -5.759 1.00 43.41 H new ATOM 0 HD13 LEU A 95 3.548 6.237 -7.384 1.00 43.41 H new ATOM 0 HD21 LEU A 95 6.536 6.769 -7.884 1.00 64.34 H new ATOM 0 HD22 LEU A 95 5.258 7.093 -9.079 1.00 64.34 H new ATOM 0 HD23 LEU A 95 6.369 8.394 -8.590 1.00 64.34 H new ATOM 1489 N ARG A 96 2.927 11.245 -9.726 1.00 2.21 N ATOM 1490 CA ARG A 96 1.824 12.100 -10.162 1.00 74.44 C ATOM 1491 C ARG A 96 0.491 11.436 -9.827 1.00 41.10 C ATOM 1492 O ARG A 96 0.450 10.305 -9.326 1.00 21.40 O ATOM 1493 CB ARG A 96 1.889 12.366 -11.676 1.00 21.14 C ATOM 1494 CG ARG A 96 1.632 11.126 -12.513 1.00 72.43 C ATOM 1495 CD ARG A 96 1.450 11.438 -13.982 1.00 23.21 C ATOM 1496 NE ARG A 96 1.147 10.227 -14.750 1.00 24.51 N ATOM 1497 CZ ARG A 96 0.602 10.215 -15.969 1.00 44.22 C ATOM 1498 NH1 ARG A 96 0.277 11.355 -16.567 1.00 74.24 N ATOM 1499 NH2 ARG A 96 0.377 9.061 -16.585 1.00 11.10 N ATOM 0 H ARG A 96 3.347 10.684 -10.467 1.00 2.21 H new ATOM 0 HA ARG A 96 1.910 13.052 -9.638 1.00 74.44 H new ATOM 0 HB2 ARG A 96 1.156 13.130 -11.936 1.00 21.14 H new ATOM 0 HB3 ARG A 96 2.871 12.768 -11.926 1.00 21.14 H new ATOM 0 HG2 ARG A 96 2.465 10.434 -12.394 1.00 72.43 H new ATOM 0 HG3 ARG A 96 0.741 10.620 -12.141 1.00 72.43 H new ATOM 0 HD2 ARG A 96 0.643 12.161 -14.105 1.00 23.21 H new ATOM 0 HD3 ARG A 96 2.356 11.902 -14.372 1.00 23.21 H new ATOM 0 HE ARG A 96 1.369 9.328 -14.322 1.00 24.51 H new ATOM 0 HH11 ARG A 96 0.443 12.244 -16.095 1.00 74.24 H new ATOM 0 HH12 ARG A 96 -0.139 11.342 -17.498 1.00 74.24 H new ATOM 0 HH21 ARG A 96 0.620 8.183 -16.127 1.00 11.10 H new ATOM 0 HH22 ARG A 96 -0.039 9.053 -17.516 1.00 11.10 H new ATOM 1513 N THR A 97 -0.590 12.131 -10.110 1.00 32.51 N ATOM 1514 CA THR A 97 -1.917 11.610 -9.869 1.00 10.14 C ATOM 1515 C THR A 97 -2.209 10.415 -10.787 1.00 62.21 C ATOM 1516 O THR A 97 -2.264 10.560 -12.009 1.00 51.43 O ATOM 1517 CB THR A 97 -2.974 12.704 -10.107 1.00 61.03 C ATOM 1518 OG1 THR A 97 -2.662 13.858 -9.314 1.00 20.03 O ATOM 1519 CG2 THR A 97 -4.365 12.206 -9.751 1.00 42.14 C ATOM 0 H THR A 97 -0.574 13.068 -10.512 1.00 32.51 H new ATOM 0 HA THR A 97 -1.963 11.280 -8.831 1.00 10.14 H new ATOM 0 HB THR A 97 -2.961 12.967 -11.165 1.00 61.03 H new ATOM 0 HG1 THR A 97 -2.867 13.674 -8.374 1.00 20.03 H new ATOM 0 HG21 THR A 97 -5.092 12.999 -9.929 1.00 42.14 H new ATOM 0 HG22 THR A 97 -4.612 11.343 -10.369 1.00 42.14 H new ATOM 0 HG23 THR A 97 -4.391 11.919 -8.700 1.00 42.14 H new ATOM 1527 N GLY A 98 -2.369 9.239 -10.196 1.00 61.11 N ATOM 1528 CA GLY A 98 -2.689 8.059 -10.978 1.00 2.32 C ATOM 1529 C GLY A 98 -1.522 7.104 -11.152 1.00 4.24 C ATOM 1530 O GLY A 98 -1.625 6.132 -11.897 1.00 23.22 O ATOM 0 H GLY A 98 -2.284 9.080 -9.192 1.00 61.11 H new ATOM 0 HA2 GLY A 98 -3.512 7.529 -10.498 1.00 2.32 H new ATOM 0 HA3 GLY A 98 -3.041 8.371 -11.961 1.00 2.32 H new ATOM 1534 N GLU A 99 -0.415 7.367 -10.478 1.00 13.53 N ATOM 1535 CA GLU A 99 0.745 6.488 -10.589 1.00 55.01 C ATOM 1536 C GLU A 99 0.698 5.363 -9.582 1.00 61.24 C ATOM 1537 O GLU A 99 0.291 5.553 -8.431 1.00 23.15 O ATOM 1538 CB GLU A 99 2.046 7.257 -10.423 1.00 61.03 C ATOM 1539 CG GLU A 99 2.400 8.123 -11.602 1.00 52.01 C ATOM 1540 CD GLU A 99 2.419 7.360 -12.907 1.00 71.34 C ATOM 1541 OE1 GLU A 99 3.220 6.409 -13.039 1.00 73.13 O ATOM 1542 OE2 GLU A 99 1.639 7.715 -13.817 1.00 23.41 O ATOM 0 H GLU A 99 -0.292 8.167 -9.857 1.00 13.53 H new ATOM 0 HA GLU A 99 0.710 6.061 -11.591 1.00 55.01 H new ATOM 0 HB2 GLU A 99 1.975 7.883 -9.534 1.00 61.03 H new ATOM 0 HB3 GLU A 99 2.856 6.548 -10.250 1.00 61.03 H new ATOM 0 HG2 GLU A 99 1.682 8.940 -11.675 1.00 52.01 H new ATOM 0 HG3 GLU A 99 3.379 8.573 -11.435 1.00 52.01 H new ATOM 1549 N MET A 100 1.118 4.198 -10.025 1.00 42.32 N ATOM 1550 CA MET A 100 1.191 3.026 -9.187 1.00 43.02 C ATOM 1551 C MET A 100 2.642 2.763 -8.818 1.00 22.24 C ATOM 1552 O MET A 100 3.516 2.729 -9.687 1.00 63.23 O ATOM 1553 CB MET A 100 0.617 1.813 -9.923 1.00 4.10 C ATOM 1554 CG MET A 100 0.575 0.544 -9.085 1.00 74.01 C ATOM 1555 SD MET A 100 -0.538 0.681 -7.676 1.00 23.24 S ATOM 1556 CE MET A 100 -2.109 0.888 -8.508 1.00 65.25 C ATOM 0 H MET A 100 1.421 4.039 -10.986 1.00 42.32 H new ATOM 0 HA MET A 100 0.607 3.195 -8.282 1.00 43.02 H new ATOM 0 HB2 MET A 100 -0.393 2.049 -10.258 1.00 4.10 H new ATOM 0 HB3 MET A 100 1.214 1.627 -10.816 1.00 4.10 H new ATOM 0 HG2 MET A 100 0.261 -0.291 -9.712 1.00 74.01 H new ATOM 0 HG3 MET A 100 1.579 0.315 -8.729 1.00 74.01 H new ATOM 0 HE1 MET A 100 -2.889 1.076 -7.770 1.00 65.25 H new ATOM 0 HE2 MET A 100 -2.048 1.732 -9.195 1.00 65.25 H new ATOM 0 HE3 MET A 100 -2.347 -0.018 -9.066 1.00 65.25 H new ATOM 1566 N SER A 101 2.900 2.606 -7.547 1.00 75.32 N ATOM 1567 CA SER A 101 4.241 2.347 -7.075 1.00 32.23 C ATOM 1568 C SER A 101 4.488 0.850 -6.990 1.00 12.12 C ATOM 1569 O SER A 101 3.545 0.064 -6.877 1.00 25.04 O ATOM 1570 CB SER A 101 4.447 2.996 -5.705 1.00 24.20 C ATOM 1571 OG SER A 101 5.779 2.842 -5.247 1.00 40.33 O ATOM 0 H SER A 101 2.195 2.653 -6.812 1.00 75.32 H new ATOM 0 HA SER A 101 4.952 2.777 -7.780 1.00 32.23 H new ATOM 0 HB2 SER A 101 4.203 4.057 -5.764 1.00 24.20 H new ATOM 0 HB3 SER A 101 3.761 2.551 -4.985 1.00 24.20 H new ATOM 0 HG SER A 101 5.787 2.811 -4.268 1.00 40.33 H new ATOM 1577 N GLY A 102 5.750 0.463 -7.050 1.00 25.22 N ATOM 1578 CA GLY A 102 6.099 -0.930 -6.942 1.00 3.42 C ATOM 1579 C GLY A 102 6.119 -1.388 -5.497 1.00 41.34 C ATOM 1580 O GLY A 102 5.656 -0.663 -4.609 1.00 41.43 O ATOM 0 H GLY A 102 6.541 1.095 -7.172 1.00 25.22 H new ATOM 0 HA2 GLY A 102 5.384 -1.530 -7.505 1.00 3.42 H new ATOM 0 HA3 GLY A 102 7.078 -1.097 -7.391 1.00 3.42 H new ATOM 1584 N PRO A 103 6.655 -2.580 -5.226 1.00 53.12 N ATOM 1585 CA PRO A 103 6.717 -3.131 -3.873 1.00 41.42 C ATOM 1586 C PRO A 103 7.636 -2.324 -2.959 1.00 23.42 C ATOM 1587 O PRO A 103 8.870 -2.420 -3.049 1.00 13.11 O ATOM 1588 CB PRO A 103 7.282 -4.546 -4.075 1.00 30.31 C ATOM 1589 CG PRO A 103 7.142 -4.820 -5.536 1.00 51.45 C ATOM 1590 CD PRO A 103 7.244 -3.489 -6.213 1.00 75.31 C ATOM 0 HA PRO A 103 5.740 -3.115 -3.390 1.00 41.42 H new ATOM 0 HB2 PRO A 103 8.325 -4.602 -3.762 1.00 30.31 H new ATOM 0 HB3 PRO A 103 6.732 -5.278 -3.483 1.00 30.31 H new ATOM 0 HG2 PRO A 103 7.923 -5.496 -5.883 1.00 51.45 H new ATOM 0 HG3 PRO A 103 6.187 -5.297 -5.754 1.00 51.45 H new ATOM 0 HD2 PRO A 103 8.278 -3.227 -6.438 1.00 75.31 H new ATOM 0 HD3 PRO A 103 6.698 -3.471 -7.156 1.00 75.31 H new ATOM 1598 N VAL A 104 7.042 -1.512 -2.107 1.00 60.23 N ATOM 1599 CA VAL A 104 7.795 -0.717 -1.161 1.00 33.52 C ATOM 1600 C VAL A 104 7.890 -1.454 0.166 1.00 33.23 C ATOM 1601 O VAL A 104 6.887 -1.627 0.870 1.00 12.30 O ATOM 1602 CB VAL A 104 7.150 0.673 -0.940 1.00 14.33 C ATOM 1603 CG1 VAL A 104 7.958 1.494 0.055 1.00 4.21 C ATOM 1604 CG2 VAL A 104 7.020 1.413 -2.264 1.00 32.22 C ATOM 0 H VAL A 104 6.031 -1.386 -2.052 1.00 60.23 H new ATOM 0 HA VAL A 104 8.792 -0.562 -1.573 1.00 33.52 H new ATOM 0 HB VAL A 104 6.153 0.525 -0.525 1.00 14.33 H new ATOM 0 HG11 VAL A 104 7.485 2.466 0.194 1.00 4.21 H new ATOM 0 HG12 VAL A 104 7.999 0.971 1.010 1.00 4.21 H new ATOM 0 HG13 VAL A 104 8.970 1.634 -0.325 1.00 4.21 H new ATOM 0 HG21 VAL A 104 6.565 2.388 -2.092 1.00 32.22 H new ATOM 0 HG22 VAL A 104 8.008 1.546 -2.705 1.00 32.22 H new ATOM 0 HG23 VAL A 104 6.394 0.835 -2.944 1.00 32.22 H new ATOM 1614 N PHE A 105 9.083 -1.898 0.495 1.00 64.13 N ATOM 1615 CA PHE A 105 9.299 -2.642 1.718 1.00 34.24 C ATOM 1616 C PHE A 105 9.350 -1.715 2.916 1.00 34.04 C ATOM 1617 O PHE A 105 10.279 -0.919 3.069 1.00 64.55 O ATOM 1618 CB PHE A 105 10.582 -3.469 1.626 1.00 53.02 C ATOM 1619 CG PHE A 105 10.547 -4.508 0.542 1.00 4.04 C ATOM 1620 CD1 PHE A 105 9.912 -5.722 0.749 1.00 20.11 C ATOM 1621 CD2 PHE A 105 11.147 -4.272 -0.685 1.00 65.43 C ATOM 1622 CE1 PHE A 105 9.877 -6.679 -0.246 1.00 12.01 C ATOM 1623 CE2 PHE A 105 11.113 -5.227 -1.680 1.00 45.34 C ATOM 1624 CZ PHE A 105 10.478 -6.430 -1.461 1.00 32.14 C ATOM 0 H PHE A 105 9.921 -1.757 -0.069 1.00 64.13 H new ATOM 0 HA PHE A 105 8.458 -3.322 1.851 1.00 34.24 H new ATOM 0 HB2 PHE A 105 11.425 -2.800 1.450 1.00 53.02 H new ATOM 0 HB3 PHE A 105 10.758 -3.959 2.583 1.00 53.02 H new ATOM 0 HD1 PHE A 105 9.439 -5.922 1.699 1.00 20.11 H new ATOM 0 HD2 PHE A 105 11.646 -3.331 -0.864 1.00 65.43 H new ATOM 0 HE1 PHE A 105 9.379 -7.622 -0.072 1.00 12.01 H new ATOM 0 HE2 PHE A 105 11.585 -5.031 -2.632 1.00 45.34 H new ATOM 0 HZ PHE A 105 10.451 -7.177 -2.241 1.00 32.14 H new ATOM 1634 N THR A 106 8.340 -1.804 3.746 1.00 34.24 N ATOM 1635 CA THR A 106 8.264 -1.005 4.940 1.00 24.04 C ATOM 1636 C THR A 106 8.504 -1.906 6.156 1.00 3.51 C ATOM 1637 O THR A 106 8.464 -3.131 6.032 1.00 42.32 O ATOM 1638 CB THR A 106 6.878 -0.328 5.043 1.00 44.23 C ATOM 1639 OG1 THR A 106 6.492 0.152 3.749 1.00 74.13 O ATOM 1640 CG2 THR A 106 6.903 0.847 6.014 1.00 11.34 C ATOM 0 H THR A 106 7.548 -2.433 3.611 1.00 34.24 H new ATOM 0 HA THR A 106 9.024 -0.225 4.907 1.00 24.04 H new ATOM 0 HB THR A 106 6.166 -1.067 5.411 1.00 44.23 H new ATOM 0 HG1 THR A 106 5.695 0.717 3.834 1.00 74.13 H new ATOM 0 HG21 THR A 106 5.913 1.300 6.062 1.00 11.34 H new ATOM 0 HG22 THR A 106 7.190 0.494 7.005 1.00 11.34 H new ATOM 0 HG23 THR A 106 7.625 1.588 5.670 1.00 11.34 H new ATOM 1648 N ASP A 107 8.757 -1.309 7.307 1.00 61.14 N ATOM 1649 CA ASP A 107 9.035 -2.063 8.530 1.00 4.42 C ATOM 1650 C ASP A 107 7.864 -2.977 8.924 1.00 51.10 C ATOM 1651 O ASP A 107 8.068 -4.052 9.475 1.00 14.05 O ATOM 1652 CB ASP A 107 9.371 -1.105 9.682 1.00 63.41 C ATOM 1653 CG ASP A 107 8.197 -0.236 10.098 1.00 42.50 C ATOM 1654 OD1 ASP A 107 7.888 0.746 9.390 1.00 74.31 O ATOM 1655 OD2 ASP A 107 7.581 -0.526 11.139 1.00 62.12 O ATOM 0 H ASP A 107 8.777 -0.296 7.427 1.00 61.14 H new ATOM 0 HA ASP A 107 9.895 -2.702 8.329 1.00 4.42 H new ATOM 0 HB2 ASP A 107 9.708 -1.684 10.541 1.00 63.41 H new ATOM 0 HB3 ASP A 107 10.201 -0.465 9.383 1.00 63.41 H new ATOM 1660 N SER A 108 6.649 -2.546 8.630 1.00 14.15 N ATOM 1661 CA SER A 108 5.462 -3.323 8.962 1.00 14.44 C ATOM 1662 C SER A 108 5.227 -4.454 7.953 1.00 31.25 C ATOM 1663 O SER A 108 4.787 -5.555 8.316 1.00 23.35 O ATOM 1664 CB SER A 108 4.246 -2.400 9.018 1.00 51.30 C ATOM 1665 OG SER A 108 4.241 -1.500 7.910 1.00 54.22 O ATOM 0 H SER A 108 6.456 -1.661 8.161 1.00 14.15 H new ATOM 0 HA SER A 108 5.617 -3.783 9.938 1.00 14.44 H new ATOM 0 HB2 SER A 108 3.332 -2.994 9.014 1.00 51.30 H new ATOM 0 HB3 SER A 108 4.255 -1.836 9.951 1.00 51.30 H new ATOM 0 HG SER A 108 3.471 -0.898 7.981 1.00 54.22 H new ATOM 1671 N GLY A 109 5.541 -4.182 6.700 1.00 22.42 N ATOM 1672 CA GLY A 109 5.327 -5.140 5.644 1.00 51.42 C ATOM 1673 C GLY A 109 5.488 -4.494 4.293 1.00 72.40 C ATOM 1674 O GLY A 109 6.043 -3.399 4.195 1.00 53.32 O ATOM 0 H GLY A 109 5.947 -3.298 6.393 1.00 22.42 H new ATOM 0 HA2 GLY A 109 6.035 -5.963 5.745 1.00 51.42 H new ATOM 0 HA3 GLY A 109 4.328 -5.566 5.731 1.00 51.42 H new ATOM 1678 N ILE A 110 4.993 -5.138 3.259 1.00 44.11 N ATOM 1679 CA ILE A 110 5.109 -4.594 1.920 1.00 51.15 C ATOM 1680 C ILE A 110 3.934 -3.670 1.636 1.00 63.44 C ATOM 1681 O ILE A 110 2.780 -4.016 1.907 1.00 43.21 O ATOM 1682 CB ILE A 110 5.172 -5.707 0.851 1.00 11.34 C ATOM 1683 CG1 ILE A 110 6.210 -6.765 1.250 1.00 22.11 C ATOM 1684 CG2 ILE A 110 5.522 -5.106 -0.509 1.00 74.21 C ATOM 1685 CD1 ILE A 110 6.280 -7.942 0.301 1.00 23.54 C ATOM 0 H ILE A 110 4.509 -6.034 3.316 1.00 44.11 H new ATOM 0 HA ILE A 110 6.042 -4.032 1.869 1.00 51.15 H new ATOM 0 HB ILE A 110 4.196 -6.187 0.781 1.00 11.34 H new ATOM 0 HG12 ILE A 110 7.192 -6.295 1.304 1.00 22.11 H new ATOM 0 HG13 ILE A 110 5.977 -7.130 2.250 1.00 22.11 H new ATOM 0 HG21 ILE A 110 5.564 -5.898 -1.257 1.00 74.21 H new ATOM 0 HG22 ILE A 110 4.761 -4.379 -0.793 1.00 74.21 H new ATOM 0 HG23 ILE A 110 6.491 -4.611 -0.449 1.00 74.21 H new ATOM 0 HD11 ILE A 110 7.036 -8.646 0.650 1.00 23.54 H new ATOM 0 HD12 ILE A 110 5.310 -8.439 0.265 1.00 23.54 H new ATOM 0 HD13 ILE A 110 6.545 -7.590 -0.696 1.00 23.54 H new ATOM 1697 N HIS A 111 4.229 -2.490 1.124 1.00 21.00 N ATOM 1698 CA HIS A 111 3.202 -1.502 0.845 1.00 45.54 C ATOM 1699 C HIS A 111 3.200 -1.113 -0.622 1.00 31.05 C ATOM 1700 O HIS A 111 4.260 -0.978 -1.239 1.00 61.32 O ATOM 1701 CB HIS A 111 3.420 -0.231 1.693 1.00 1.03 C ATOM 1702 CG HIS A 111 3.229 -0.407 3.173 1.00 52.04 C ATOM 1703 ND1 HIS A 111 2.426 0.419 3.928 1.00 74.31 N ATOM 1704 CD2 HIS A 111 3.768 -1.289 4.045 1.00 32.14 C ATOM 1705 CE1 HIS A 111 2.482 0.053 5.194 1.00 52.01 C ATOM 1706 NE2 HIS A 111 3.288 -0.978 5.293 1.00 52.33 N ATOM 0 H HIS A 111 5.176 -2.191 0.892 1.00 21.00 H new ATOM 0 HA HIS A 111 2.243 -1.954 1.100 1.00 45.54 H new ATOM 0 HB2 HIS A 111 4.431 0.136 1.515 1.00 1.03 H new ATOM 0 HB3 HIS A 111 2.734 0.541 1.344 1.00 1.03 H new ATOM 0 HD2 HIS A 111 4.450 -2.091 3.804 1.00 32.14 H new ATOM 0 HE1 HIS A 111 1.954 0.522 6.011 1.00 52.01 H new ATOM 0 HE2 HIS A 111 3.520 -1.468 6.157 1.00 52.33 H new ATOM 1715 N ILE A 112 2.017 -0.957 -1.180 1.00 64.24 N ATOM 1716 CA ILE A 112 1.873 -0.457 -2.533 1.00 11.22 C ATOM 1717 C ILE A 112 1.293 0.947 -2.460 1.00 71.23 C ATOM 1718 O ILE A 112 0.406 1.215 -1.635 1.00 61.21 O ATOM 1719 CB ILE A 112 0.961 -1.351 -3.411 1.00 1.34 C ATOM 1720 CG1 ILE A 112 1.429 -2.810 -3.365 1.00 60.53 C ATOM 1721 CG2 ILE A 112 0.952 -0.846 -4.851 1.00 74.12 C ATOM 1722 CD1 ILE A 112 0.667 -3.723 -4.308 1.00 52.12 C ATOM 0 H ILE A 112 1.135 -1.171 -0.714 1.00 64.24 H new ATOM 0 HA ILE A 112 2.857 -0.459 -3.002 1.00 11.22 H new ATOM 0 HB ILE A 112 -0.053 -1.301 -3.015 1.00 1.34 H new ATOM 0 HG12 ILE A 112 2.490 -2.850 -3.612 1.00 60.53 H new ATOM 0 HG13 ILE A 112 1.324 -3.184 -2.347 1.00 60.53 H new ATOM 0 HG21 ILE A 112 0.307 -1.483 -5.456 1.00 74.12 H new ATOM 0 HG22 ILE A 112 0.577 0.177 -4.875 1.00 74.12 H new ATOM 0 HG23 ILE A 112 1.965 -0.870 -5.251 1.00 74.12 H new ATOM 0 HD11 ILE A 112 1.052 -4.739 -4.221 1.00 52.12 H new ATOM 0 HD12 ILE A 112 -0.391 -3.713 -4.048 1.00 52.12 H new ATOM 0 HD13 ILE A 112 0.792 -3.374 -5.333 1.00 52.12 H new ATOM 1734 N ILE A 113 1.791 1.841 -3.293 1.00 34.22 N ATOM 1735 CA ILE A 113 1.378 3.233 -3.244 1.00 22.02 C ATOM 1736 C ILE A 113 0.638 3.642 -4.507 1.00 53.31 C ATOM 1737 O ILE A 113 1.109 3.402 -5.617 1.00 11.21 O ATOM 1738 CB ILE A 113 2.601 4.167 -3.076 1.00 14.42 C ATOM 1739 CG1 ILE A 113 3.518 3.649 -1.969 1.00 52.43 C ATOM 1740 CG2 ILE A 113 2.150 5.596 -2.777 1.00 51.53 C ATOM 1741 CD1 ILE A 113 4.804 4.426 -1.827 1.00 12.04 C ATOM 0 H ILE A 113 2.482 1.629 -4.012 1.00 34.22 H new ATOM 0 HA ILE A 113 0.712 3.330 -2.387 1.00 22.02 H new ATOM 0 HB ILE A 113 3.160 4.175 -4.012 1.00 14.42 H new ATOM 0 HG12 ILE A 113 2.980 3.679 -1.021 1.00 52.43 H new ATOM 0 HG13 ILE A 113 3.756 2.604 -2.167 1.00 52.43 H new ATOM 0 HG21 ILE A 113 3.024 6.237 -2.662 1.00 51.53 H new ATOM 0 HG22 ILE A 113 1.536 5.963 -3.599 1.00 51.53 H new ATOM 0 HG23 ILE A 113 1.568 5.608 -1.856 1.00 51.53 H new ATOM 0 HD11 ILE A 113 5.401 3.998 -1.021 1.00 12.04 H new ATOM 0 HD12 ILE A 113 5.365 4.375 -2.760 1.00 12.04 H new ATOM 0 HD13 ILE A 113 4.577 5.467 -1.597 1.00 12.04 H new ATOM 1753 N LEU A 114 -0.519 4.246 -4.329 1.00 52.52 N ATOM 1754 CA LEU A 114 -1.283 4.787 -5.434 1.00 54.23 C ATOM 1755 C LEU A 114 -1.747 6.185 -5.090 1.00 51.32 C ATOM 1756 O LEU A 114 -2.465 6.382 -4.108 1.00 25.20 O ATOM 1757 CB LEU A 114 -2.501 3.916 -5.761 1.00 62.25 C ATOM 1758 CG LEU A 114 -3.472 4.516 -6.794 1.00 2.23 C ATOM 1759 CD1 LEU A 114 -2.824 4.611 -8.165 1.00 35.41 C ATOM 1760 CD2 LEU A 114 -4.756 3.714 -6.862 1.00 43.03 C ATOM 0 H LEU A 114 -0.955 4.375 -3.416 1.00 52.52 H new ATOM 0 HA LEU A 114 -0.636 4.807 -6.311 1.00 54.23 H new ATOM 0 HB2 LEU A 114 -2.151 2.952 -6.131 1.00 62.25 H new ATOM 0 HB3 LEU A 114 -3.049 3.723 -4.839 1.00 62.25 H new ATOM 0 HG LEU A 114 -3.720 5.526 -6.468 1.00 2.23 H new ATOM 0 HD11 LEU A 114 -3.533 5.038 -8.874 1.00 35.41 H new ATOM 0 HD12 LEU A 114 -1.941 5.248 -8.107 1.00 35.41 H new ATOM 0 HD13 LEU A 114 -2.532 3.615 -8.499 1.00 35.41 H new ATOM 0 HD21 LEU A 114 -5.424 4.159 -7.599 1.00 43.03 H new ATOM 0 HD22 LEU A 114 -4.529 2.688 -7.151 1.00 43.03 H new ATOM 0 HD23 LEU A 114 -5.239 3.718 -5.885 1.00 43.03 H new ATOM 1772 N ARG A 115 -1.332 7.155 -5.878 1.00 41.32 N ATOM 1773 CA ARG A 115 -1.752 8.520 -5.651 1.00 22.34 C ATOM 1774 C ARG A 115 -3.105 8.761 -6.301 1.00 33.13 C ATOM 1775 O ARG A 115 -3.222 8.802 -7.531 1.00 65.22 O ATOM 1776 CB ARG A 115 -0.715 9.519 -6.175 1.00 21.43 C ATOM 1777 CG ARG A 115 -1.097 10.975 -5.938 1.00 61.12 C ATOM 1778 CD ARG A 115 0.007 11.920 -6.372 1.00 22.34 C ATOM 1779 NE ARG A 115 -0.400 13.324 -6.271 1.00 24.41 N ATOM 1780 CZ ARG A 115 0.442 14.362 -6.342 1.00 14.51 C ATOM 1781 NH1 ARG A 115 1.742 14.162 -6.534 1.00 2.21 N ATOM 1782 NH2 ARG A 115 -0.021 15.600 -6.228 1.00 23.13 N ATOM 0 H ARG A 115 -0.709 7.025 -6.675 1.00 41.32 H new ATOM 0 HA ARG A 115 -1.842 8.675 -4.576 1.00 22.34 H new ATOM 0 HB2 ARG A 115 0.243 9.321 -5.695 1.00 21.43 H new ATOM 0 HB3 ARG A 115 -0.575 9.358 -7.244 1.00 21.43 H new ATOM 0 HG2 ARG A 115 -2.011 11.206 -6.486 1.00 61.12 H new ATOM 0 HG3 ARG A 115 -1.312 11.128 -4.880 1.00 61.12 H new ATOM 0 HD2 ARG A 115 0.890 11.753 -5.755 1.00 22.34 H new ATOM 0 HD3 ARG A 115 0.290 11.698 -7.401 1.00 22.34 H new ATOM 0 HE ARG A 115 -1.391 13.524 -6.138 1.00 24.41 H new ATOM 0 HH11 ARG A 115 2.104 13.213 -6.628 1.00 2.21 H new ATOM 0 HH12 ARG A 115 2.378 14.958 -6.587 1.00 2.21 H new ATOM 0 HH21 ARG A 115 -1.018 15.760 -6.086 1.00 23.13 H new ATOM 0 HH22 ARG A 115 0.620 16.391 -6.282 1.00 23.13 H new ATOM 1796 N THR A 116 -4.121 8.887 -5.472 1.00 11.32 N ATOM 1797 CA THR A 116 -5.471 9.115 -5.924 1.00 24.51 C ATOM 1798 C THR A 116 -5.605 10.524 -6.499 1.00 24.24 C ATOM 1799 O THR A 116 -6.068 10.700 -7.626 1.00 54.01 O ATOM 1800 CB THR A 116 -6.459 8.942 -4.758 1.00 54.32 C ATOM 1801 OG1 THR A 116 -6.051 7.826 -3.952 1.00 62.12 O ATOM 1802 CG2 THR A 116 -7.871 8.702 -5.278 1.00 51.21 C ATOM 0 H THR A 116 -4.028 8.833 -4.458 1.00 11.32 H new ATOM 0 HA THR A 116 -5.702 8.386 -6.701 1.00 24.51 H new ATOM 0 HB THR A 116 -6.459 9.854 -4.161 1.00 54.32 H new ATOM 0 HG1 THR A 116 -6.588 7.800 -3.133 1.00 62.12 H new ATOM 0 HG21 THR A 116 -8.553 8.582 -4.436 1.00 51.21 H new ATOM 0 HG22 THR A 116 -8.186 9.553 -5.882 1.00 51.21 H new ATOM 0 HG23 THR A 116 -7.885 7.799 -5.888 1.00 51.21 H new ATOM 1810 N GLU A 117 -5.176 11.512 -5.723 1.00 51.23 N ATOM 1811 CA GLU A 117 -5.230 12.909 -6.132 1.00 3.44 C ATOM 1812 C GLU A 117 -3.902 13.583 -5.816 1.00 53.43 C ATOM 1813 O GLU A 117 -3.684 13.943 -4.641 1.00 0.00 O ATOM 1814 CB GLU A 117 -6.363 13.659 -5.411 1.00 53.31 C ATOM 1815 CG GLU A 117 -7.753 13.074 -5.619 1.00 53.01 C ATOM 1816 CD GLU A 117 -8.210 13.120 -7.063 1.00 42.21 C ATOM 1817 OE1 GLU A 117 -7.920 14.116 -7.762 1.00 51.11 O ATOM 1818 OE2 GLU A 117 -8.893 12.168 -7.502 1.00 61.44 O ATOM 1819 OXT GLU A 117 -3.076 13.743 -6.737 1.00 0.00 O ATOM 0 H GLU A 117 -4.781 11.367 -4.794 1.00 51.23 H new ATOM 0 HA GLU A 117 -5.424 12.941 -7.204 1.00 3.44 H new ATOM 0 HB2 GLU A 117 -6.147 13.674 -4.343 1.00 53.31 H new ATOM 0 HB3 GLU A 117 -6.366 14.695 -5.750 1.00 53.31 H new ATOM 0 HG2 GLU A 117 -7.760 12.040 -5.275 1.00 53.01 H new ATOM 0 HG3 GLU A 117 -8.466 13.620 -5.001 1.00 53.01 H new TER 1826 GLU A 117